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

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl 4-methylbenzoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCN2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCN2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

InChI

InChI=1S/C19H22N4O4/c1-12(2)9-23-16-15(17(24)21(4)19(23)26)22(10-20-16)11-27-18(25)14-7-5-13(3)6-8-14/h5-8,10,12H,9,11H2,1-4H3