2-(5-bromanyl-2-methoxy-phenyl)-9-(4-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-9-(4-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-methoxyphenyl)-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-8-keto-9-(4-methoxyphenyl)-7H-purine-6-carboxamide Formula: C20H16BrN5O4 MolecularWeight: 470.27614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C20H16BrN5O4/c1-29-12-6-4-11(5-7-12)26-19-16(24-20(26)28)15(17(22)27)23-18(25-19)13-9-10(21)3-8-14(13)30-2/h3-9H,1-2H3,(H2,22,27)(H,24,28)