9-(4-methoxyphenyl)-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-(4-methoxyphenyl)-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-isopropylphenyl)-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-methoxyphenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(4-methoxyphenyl)-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(4-methoxyphenyl)-2-p-cumenyl-7H-purine-6-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)OC)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)OC)C(=O)N

InChI

InChI=1S/C22H21N5O3/c1-12(2)13-4-6-14(7-5-13)20-24-17(19(23)28)18-21(26-20)27(22(29)25-18)15-8-10-16(30-3)11-9-15/h4-12H,1-3H3,(H2,23,28)(H,25,29)