3,7-dimethyl-1-(3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(4-thieno[2,3-d]pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(thieno[2,3-d]pyrimidin-4-ylthio)propyl]xanthine Formula: C16H16N6O2S2 MolecularWeight: 388.46724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C16H16N6O2S2/c1-20-9-19-12-11(20)15(23)22(16(24)21(12)2)5-3-6-25-13-10-4-7-26-14(10)18-8-17-13/h4,7-9H,3,5-6H2,1-2H3