2-(5-methyl-4-oxidanylidene-pyrimido[5,4-b]indol-3-yl)ethanenitrile

Systemtic Name: 2-(5-methyl-4-oxidanylidene-pyrimido[5,4-b]indol-3-yl)ethanenitrile Openeye Name: 2-(5-methyl-4-oxo-pyrimido[5,4-b]indol-3-yl)acetonitrile CAS Name: 2-(5-methyl-4-oxo-3-pyrimido[5,4-b]indolyl)acetonitrile IUPAC Name: 2-(5-methyl-4-oxopyrimido[5,4-b]indol-3-yl)acetonitrile Traditional Name: 2-(4-keto-5-methyl-pyrimid[5,4-b]indol-3-yl)acetonitrile Formula: C13H10N4O MolecularWeight: 238.2447

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CC#N

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(C=N3)CC#N

InChI

InChI=1S/C13H10N4O/c1-16-10-5-3-2-4-9(10)11-12(16)13(18)17(7-6-14)8-15-11/h2-5,8H,7H2,1H3