9-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl]-8-bromo-1,3-dimethyl-xanthine Formula: C16H16BrN7O5 MolecularWeight: 466.24614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N)Br

InChI

InChI=1S/C16H16BrN7O5/c1-21-12-9(13(27)22(2)16(21)29)19-14(17)23(12)5-7(25)8-10(18)24(6-3-4-6)15(28)20-11(8)26/h6H,3-5,18H2,1-2H3,(H,20,26,28)