2-(5-bromanyl-2-methoxy-phenyl)-9-(3-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(5-bromanyl-2-methoxy-phenyl)-9-(3-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(5-bromo-2-methoxy-phenyl)-9-(m-tolyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(5-bromo-2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(5-bromo-2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(5-bromo-2-methoxy-phenyl)-8-keto-9-(m-tolyl)-7H-purine-6-carboxamide Formula: C20H16BrN5O3 MolecularWeight: 454.27674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C20H16BrN5O3/c1-10-4-3-5-12(8-10)26-19-16(24-20(26)28)15(17(22)27)23-18(25-19)13-9-11(21)6-7-14(13)29-2/h3-9H,1-2H3,(H2,22,27)(H,24,28)