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

Systemtic Name: 7-cyclopentyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-(2-indolin-1-yl-2-oxo-ethyl)purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-(2-indolin-1-yl-2-keto-ethyl)xanthine Formula: C27H27N5O3 MolecularWeight: 469.53498

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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)N5CCC6=CC=CC=C65

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCC6=CC=CC=C65

InChI

InChI=1S/C27H27N5O3/c33-23(29-15-14-20-10-4-7-13-22(20)29)17-31-26(34)24-25(28-18-32(24)21-11-5-6-12-21)30(27(31)35)16-19-8-2-1-3-9-19/h1-4,7-10,13,18,21H,5-6,11-12,14-17H2