2-(10-cyano-4-oxidanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-3-yl)ethanoic acid

Systemtic Name: 2-(10-cyano-4-oxidanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-3-yl)ethanoic acid Openeye Name: 2-(10-cyano-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-3-yl)acetic acid CAS Name: 2-(10-cyano-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-3-yl)acetic acid IUPAC Name: 2-(10-cyano-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-3-yl)acetic acid Traditional Name: 2-(10-cyano-4-keto-6,7,8,9-tetrahydropyrimid[4,5-b]indolizin-3-yl)acetic acid Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC(=O)O)C#N)C1

Isomeric SMILES

C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC(=O)O)C#N)C1

InChI

InChI=1S/C13H12N4O3/c14-5-8-9-3-1-2-4-17(9)12-11(8)15-7-16(13(12)20)6-10(18)19/h7H,1-4,6H2,(H,18,19)