2-(1H-indol-6-yl)-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(1H-indol-6-yl)-9-(2-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(1H-indol-6-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(1H-indol-6-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(1H-indol-6-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(1H-indol-6-yl)-8-keto-9-(2-methoxyphenyl)-7H-purine-6-carboxamide Formula: C21H16N6O3 MolecularWeight: 400.39014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC5=C(C=C4)C=CN5

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC5=C(C=C4)C=CN5

InChI

InChI=1S/C21H16N6O3/c1-30-15-5-3-2-4-14(15)27-20-17(25-21(27)29)16(18(22)28)24-19(26-20)12-7-6-11-8-9-23-13(11)10-12/h2-10,23H,1H3,(H2,22,28)(H,25,29)