2-(4-ethylphenyl)-9-(3-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(4-ethylphenyl)-9-(3-methoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(4-ethylphenyl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-(4-ethylphenyl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(4-ethylphenyl)-9-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(4-ethylphenyl)-8-keto-9-(3-methoxyphenyl)-7H-purine-6-carboxamide Formula: C21H19N5O3 MolecularWeight: 389.40726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)OC)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)OC)C(=O)N

InChI

InChI=1S/C21H19N5O3/c1-3-12-7-9-13(10-8-12)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-5-4-6-15(11-14)29-2/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28)