3,7-dimethyl-1-(phenylmethyl)-8-quinolin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-quinolin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-(2-quinolylsulfanyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-(2-quinolinylthio)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-quinolin-2-ylsulfanylpurine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-(2-quinolylthio)xanthine Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC4=CC=CC=C4C=C3)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4C=C3)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C23H19N5O2S/c1-26-19-20(25-22(26)31-18-13-12-16-10-6-7-11-17(16)24-18)27(2)23(30)28(21(19)29)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3