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

Systemtic Name: 1-cyclopentyl-3-(3-methylphenyl)-7H-purine-2,6-dione Openeye Name: 1-cyclopentyl-3-(m-tolyl)-7H-purine-2,6-dione CAS Name: 1-cyclopentyl-3-(3-methylphenyl)-7H-purine-2,6-dione IUPAC Name: 1-cyclopentyl-3-(3-methylphenyl)-7H-purine-2,6-dione Traditional Name: 1-cyclopentyl-3-(m-tolyl)-7H-purine-2,6-quinone Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)C4CCCC4)NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)C4CCCC4)NC=N3

InChI

InChI=1S/C17H18N4O2/c1-11-5-4-8-13(9-11)20-15-14(18-10-19-15)16(22)21(17(20)23)12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)