7-cyclopentyl-1-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-keto-2-(1H-pyrrol-2-yl)ethyl]xanthine Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C5=CC=CN5

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)C5=CC=CN5

InChI

InChI=1S/C23H23N5O3/c29-19(18-11-6-12-24-18)14-27-22(30)20-21(25-15-28(20)17-9-4-5-10-17)26(23(27)31)13-16-7-2-1-3-8-16/h1-3,6-8,11-12,15,17,24H,4-5,9-10,13-14H2