7-cyclopentyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]xanthine Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCCC6=CC=CC=C65

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)N5CCCC6=CC=CC=C65

InChI

InChI=1S/C28H29N5O3/c34-24(30-16-8-12-21-11-4-7-15-23(21)30)18-32-27(35)25-26(29-19-33(25)22-13-5-6-14-22)31(28(32)36)17-20-9-2-1-3-10-20/h1-4,7,9-11,15,19,22H,5-6,8,12-14,16-18H2