3,7-dimethyl-8-(4-methylphenyl)-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(4-methylphenyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3,7-dimethyl-8-(p-tolyl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(4-methylphenyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(4-methylphenyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3,7-dimethyl-8-(p-tolyl)xanthine Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC=C

InChI

InChI=1S/C17H18N4O2/c1-5-10-21-16(22)13-15(20(4)17(21)23)18-14(19(13)3)12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3