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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(4-methylphenyl)ethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

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