7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-purine-2,6-dione CAS Name: 7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentylpurine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-xanthine Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C17H18N4O2/c22-16-14-15(18-11-21(14)13-8-4-5-9-13)20(17(23)19-16)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,22,23)