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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-9-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C20H15BrN6O3S MolecularWeight: 499.3405

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)Br

InChI

InChI=1S/C20H15BrN6O3S/c1-25-17-14(18(29)26(2)20(25)30)24-19(21)27(17)8-12-22-15(28)13-11(9-31-16(13)23-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,22,23,28)