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

Systemtic Name: 3-butyl-8-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-7-ethyl-xanthine Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O2S2/c1-5-7-8-26-16-15(17(27)24-20(26)28)25(6-2)13(23-16)9-29-18-14-11(3)12(4)30-19(14)22-10-21-18/h10H,5-9H2,1-4H3,(H,24,27,28)