9-(4-tert-butylphenyl)-2-ethyl-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-2-ethyl-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-ethyl-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-2-ethyl-8-keto-7H-purine-6-carboxamide Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

Isomeric SMILES

CCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C18H21N5O2/c1-5-12-20-13(15(19)24)14-16(21-12)23(17(25)22-14)11-8-6-10(7-9-11)18(2,3)4/h6-9H,5H2,1-4H3,(H2,19,24)(H,22,25)