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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 4-methylbenzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16N4O4/c1-10-4-6-11(7-5-10)15(22)24-9-20-8-17-13-12(20)14(21)19(3)16(23)18(13)2/h4-8H,9H2,1-3H3