7-butyl-3-(phenylmethyl)-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-(phenylmethyl)-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione CAS Name: 7-butyl-3-(phenylmethyl)-8-[(4-thieno[2,3-d]pyrimidinylthio)methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]xanthine Formula: C23H22N6O2S2 MolecularWeight: 478.58978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C23H22N6O2S2/c1-2-3-10-28-17(13-33-22-16-9-11-32-21(16)24-14-25-22)26-19-18(28)20(30)27-23(31)29(19)12-15-7-5-4-6-8-15/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,27,30,31)