(4-iodophenyl)methyl 4-oxidanylidene-3-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Systemtic Name: (4-iodophenyl)methyl 4-oxidanylidene-3-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Openeye Name: (4-iodophenyl)methyl 3-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (4-iodophenyl)methyl ester IUPAC Name: (4-iodophenyl)methyl 3-benzyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-4-keto-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (4-iodobenzyl) ester Formula: C22H20IN3O3 MolecularWeight: 501.31697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N=CN(C2=O)CC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)I

Isomeric SMILES

C1CN(CC2=C1N=CN(C2=O)CC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)I

InChI

InChI=1S/C22H20IN3O3/c23-18-8-6-17(7-9-18)14-29-22(28)25-11-10-20-19(13-25)21(27)26(15-24-20)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2