methyl 4-[(6-iodanyl-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-iodanyl-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 4-[(6-iodo-4-oxo-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(6-iodo-4-oxo-3-pyrido[3,4-d]pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-iodo-4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(6-iodo-4-keto-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoic acid methyl ester Formula: C16H12IN3O3 MolecularWeight: 421.18925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=CN=C(C=C3C2=O)I

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=CN=C(C=C3C2=O)I

InChI

InChI=1S/C16H12IN3O3/c1-23-16(22)11-4-2-10(3-5-11)8-20-9-19-13-7-18-14(17)6-12(13)15(20)21/h2-7,9H,8H2,1H3