7-cyclopentyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]xanthine Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C27H31N5O3/c1-4-29-18(2)14-22(19(29)3)23(33)16-31-26(34)24-25(28-17-32(24)21-12-8-9-13-21)30(27(31)35)15-20-10-6-5-7-11-20/h5-7,10-11,14,17,21H,4,8-9,12-13,15-16H2,1-3H3