8-cyclopentyl-7-(phenylmethyl)-1-propyl-3H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-7-(phenylmethyl)-1-propyl-3H-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-1-propyl-3H-purine-2,6-dione CAS Name: 8-cyclopentyl-7-(phenylmethyl)-1-propyl-3H-purine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-1-propyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-1-propyl-xanthine Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C20H24N4O2/c1-2-12-23-19(25)16-17(22-20(23)26)21-18(15-10-6-7-11-15)24(16)13-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,22,26)