(Q27456076)

CHEMBL575626 (English)

19 October 2016

chemical formula

C₁₇H₂₀N₄O₄

1 reference

CHEMBL575626 (English)

19 October 2016

canonical SMILES

CC1=C(C(=NC(=N1)N)N)C#CC(C2=CC(=C(C(=C2)OC)OC)OC)O

1 reference

CHEMBL575626 (English)

19 October 2016

isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C#C[C@@H](C2=CC(=C(C(=C2)OC)OC)OC)O

1 reference

CHEMBL575626 (English)

InChI=1S/C17H20N4O4/c1-9-11(16(18)21-17(19)20-9)5-6-12(22)10-7-13(23-2)15(25-4)14(8-10)24-3/h7-8,12,22H,1-4H3,(H4,18,19,20,21)/t12-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL575626 (English)

MRGVCWULZNEIIL-LBPRGKRZSA-N

19 October 2016

InChIKey

1 reference

CHEMBL575626 (English)

19 October 2016

1 reference

(1R)-3-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-(3,4,5-trimethoxyphenyl)-2-propyn-1-ol (English)

19 October 2016

2 references

CHEMBL575626 (English)

matched by identifier from

19 October 2016

InChIKey

MRGVCWULZNEIIL-LBPRGKRZSA-N

1 reference

CHEMBL575626 (English)

19 October 2016

1 reference

0 references

1 reference

3JWF (English)