3-butyl-8-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-7-methyl-xanthine Formula: C19H22N6O2S2 MolecularWeight: 430.54698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=C3C(=C(S4)C)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=C3C(=C(S4)C)C)C

InChI

InChI=1S/C19H22N6O2S2/c1-5-6-7-25-15-14(16(26)23-19(25)27)24(4)12(22-15)8-28-17-13-10(2)11(3)29-18(13)21-9-20-17/h9H,5-8H2,1-4H3,(H,23,26,27)