8-bromanyl-9-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H15BrN6O3S MolecularWeight: 451.2977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)C

InChI

InChI=1S/C16H15BrN6O3S/c1-6-7(2)27-12-9(6)11(24)18-8(19-12)5-23-13-10(20-15(23)17)14(25)22(4)16(26)21(13)3/h5H2,1-4H3,(H,18,19,24)