(Q81978479)

English

1,3,5-Triazine-2,4-diamine, N2-[(1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-[(1R)-1-fluoroethyl]-

chemical compound

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Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

301.17027385999995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₀FN₅

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canonical SMILES

Cc1ccc2c(c1)C(Nc1nc(N)nc(C(C)F)n1)C(C)C2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1CC2=C([C@@H]1NC3=NC(=NC(=N3)N)[C@H](C)F)C=C(C=C2)C

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Identifiers

InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)/t9-,10-,13+/m0/s1

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YFONKFDEZLYQDH-OUJBWJOFSA-N

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CAS Registry Number

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mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)/t9-,10-,13+/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

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DSSTOX compound identifier

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