1-methyl-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-8-phenyl-7H-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-8-phenyl-7H-purine-2,6-quinone Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3

InChI

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