1-[3-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C18H20N6O3S2 MolecularWeight: 432.5198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C18H20N6O3S2/c1-4-23-16(26)13-11(6-9-28-13)20-17(23)29-8-5-7-24-15(25)12-14(19-10-21(12)2)22(3)18(24)27/h6,9-10H,4-5,7-8H2,1-3H3