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

Systemtic Name: 8-cyclopentyl-7-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3H-purine-2,6-dione CAS Name: 8-cyclopentyl-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-xanthine Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3

InChI

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