methyl 4-[4,6-dimethyl-9-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]purin-7-yl]-4H-pyridine-1-carboxylate

Systemtic Name: methyl 4-[4,6-dimethyl-9-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]purin-7-yl]-4H-pyridine-1-carboxylate Openeye Name: methyl 4-(1-benzyl-4,6-dimethyl-9-oxo-imidazo[1,2-a]purin-7-yl)-4H-pyridine-1-carboxylate CAS Name: 4-[4,6-dimethyl-9-oxo-1-(phenylmethyl)-7-imidazo[1,2-a]purinyl]-4H-pyridine-1-carboxylic acid methyl ester IUPAC Name: methyl 4-(1-benzyl-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl)-4H-pyridine-1-carboxylate Traditional Name: 4-(1-benzyl-9-keto-4,6-dimethyl-imidazo[1,2-a]purin-7-yl)-4H-pyridine-1-carboxylic acid methyl ester Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)C5C=CN(C=C5)C(=O)OC

Isomeric SMILES

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)C5C=CN(C=C5)C(=O)OC

InChI

InChI=1S/C23H22N6O3/c1-15-18(17-9-11-27(12-10-17)23(31)32-3)29-21(30)19-20(26(2)22(29)25-15)24-14-28(19)13-16-7-5-4-6-8-16/h4-12,14,17H,13H2,1-3H3