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

Systemtic Name: 7-ethyl-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]xanthine Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4C(CCC5=CC=CC=C54)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4[C@@H](CCC5=CC=CC=C54)C

InChI

InChI=1S/C26H27N5O3/c1-3-28-17-27-24-23(28)25(33)30(26(34)29(24)15-19-9-5-4-6-10-19)16-22(32)31-18(2)13-14-20-11-7-8-12-21(20)31/h4-12,17-18H,3,13-16H2,1-2H3/t18-/m1/s1