(Q105162282)

English

(3S)-3-[(9R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

quinazoline alkaloid

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mass

356.16371126 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀N₄O

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canonical SMILES

O=C1C=2C=CC=CC2N=C3N1CCC3C4C=5C=CC=CC5N=C6N4CCC6

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isomeric SMILES

O=c1c2ccccc2nc2n1CC[C@H]2[C@@H]1c2ccccc2N=C2CCCN21

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found in taxon

Peganum harmala

1 reference

stated in

New alkaloids from Peganum harmala

Identifiers

InChI

InChI=1S/C22H20N4O/c27-22-15-7-2-4-9-18(15)24-21-16(11-13-26(21)22)20-14-6-1-3-8-17(14)23-19-10-5-12-25(19)20/h1-4,6-9,16,20H,5,10-13H2/t16-,20-/m0/s1

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InChIKey

MEKKILNPFAZRMA-JXFKEZNVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MEKKILNPFAZRMA-JXFKEZNVSA-N

1 reference

(Q105162282)

(3S)-3-[(9R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Statements

Identifiers

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