methyl 4-(7-azanyl-6-cyano-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-5-yl)benzoate

Systemtic Name: methyl 4-(7-azanyl-6-cyano-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-5-yl)benzoate Openeye Name: methyl 4-(7-amino-6-cyano-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-5-yl)benzoate CAS Name: 4-(7-amino-6-cyano-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-amino-6-cyano-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-5-yl)benzoate Traditional Name: 4-(7-amino-6-cyano-4-keto-3,5-dihydropyrano[2,3-d]pyrimidin-5-yl)benzoic acid methyl ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N

InChI

InChI=1S/C16H12N4O4/c1-23-16(22)9-4-2-8(3-5-9)11-10(6-17)13(18)24-15-12(11)14(21)19-7-20-15/h2-5,7,11H,18H2,1H3,(H,19,20,21)