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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-9-[(4-keto-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H13BrN6O3 MolecularWeight: 417.21682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=O)C4=CC=CC=C4N3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC(=O)C4=CC=CC=C4N3)Br

InChI

InChI=1S/C16H13BrN6O3/c1-21-13-11(14(25)22(2)16(21)26)20-15(17)23(13)7-10-18-9-6-4-3-5-8(9)12(24)19-10/h3-6H,7H2,1-2H3,(H,18,19,24)