methyl 4,7-dimethyl-9-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]purine-6-carboxylate

Systemtic Name: methyl 4,7-dimethyl-9-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]purine-6-carboxylate Openeye Name: methyl 1-benzyl-4,7-dimethyl-9-oxo-imidazo[1,2-a]purine-6-carboxylate CAS Name: 4,7-dimethyl-9-oxo-1-(phenylmethyl)-6-imidazo[1,2-a]purinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4,7-dimethyl-9-oxoimidazo[1,2-a]purine-6-carboxylate Traditional Name: 1-benzyl-9-keto-4,7-dimethyl-imidazo[1,2-a]purine-6-carboxylic acid methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2N1C(=O)C3=C(N2C)N=CN3CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(N=C2N1C(=O)C3=C(N2C)N=CN3CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C18H17N5O3/c1-11-13(17(25)26-3)20-18-21(2)15-14(16(24)23(11)18)22(10-19-15)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3