3-(2-methylphenyl)-1-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 3-(2-methylphenyl)-1-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 1-isobutyl-3-(o-tolyl)-7H-purine-2,6-dione CAS Name: 3-(2-methylphenyl)-1-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 3-(2-methylphenyl)-1-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 1-isobutyl-3-(o-tolyl)-7H-purine-2,6-quinone Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC(C)C)NC=N3

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC(C)C)NC=N3

InChI

InChI=1S/C16H18N4O2/c1-10(2)8-19-15(21)13-14(18-9-17-13)20(16(19)22)12-7-5-4-6-11(12)3/h4-7,9-10H,8H2,1-3H3,(H,17,18)