9-(1,3-benzodioxol-5-yl)-2-(5-bromanyl-2-methoxy-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(5-bromanyl-2-methoxy-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-methoxy-phenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-methoxy-phenyl)-8-keto-7H-purine-6-carboxamide Formula: C20H14BrN5O5 MolecularWeight: 484.25966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C20H14BrN5O5/c1-29-12-4-2-9(21)6-11(12)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)10-3-5-13-14(7-10)31-8-30-13/h2-7H,8H2,1H3,(H2,22,27)(H,24,28)