(4-methylphenyl)methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: (4-methylphenyl)methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: p-tolylmethyl 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid (4-methylbenzyl) ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H22N4O4/c1-13-6-8-14(9-7-13)11-27-15(24)5-4-10-23-12-20-17-16(23)18(25)22(3)19(26)21(17)2/h6-9,12H,4-5,10-11H2,1-3H3