7-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C16H16N6O3S/c1-7-8(2)26-14-10(7)13(23)18-9(19-14)5-22-6-17-12-11(22)15(24)21(4)16(25)20(12)3/h6H,5H2,1-4H3,(H,18,19,23)