8-chloranyl-1,3-dimethyl-7-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-7-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C14H11ClN6O3S MolecularWeight: 378.79354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C14H11ClN6O3S/c1-19-10-8(12(23)20(2)14(19)24)21(13(15)18-10)5-7-16-6-3-4-25-9(6)11(22)17-7/h3-4H,5H2,1-2H3,(H,16,17,22)