2-[(2-chloranyl-6-methoxy-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-chloranyl-6-methoxy-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-chloro-6-methoxy-4-oxo-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 2-[(2-chloro-6-methoxy-4-oxo-3-pyrido[3,4-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(2-chloro-6-methoxy-4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 2-[(2-chloro-4-keto-6-methoxy-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzonitrile Formula: C16H11ClN4O2 MolecularWeight: 326.73714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C2C(=C1)C(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

Isomeric SMILES

COC1=NC=C2C(=C1)C(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

InChI

InChI=1S/C16H11ClN4O2/c1-23-14-6-12-13(8-19-14)20-16(17)21(15(12)22)9-11-5-3-2-4-10(11)7-18/h2-6,8H,9H2,1H3