9-(3,4-dimethylphenyl)-2-hexyl-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethylphenyl)-2-hexyl-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-2-hexyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-2-hexyl-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-2-hexyl-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-2-hexyl-8-keto-7H-purine-6-carboxamide Formula: C20H25N5O2 MolecularWeight: 367.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC(=C(C=C3)C)C)C(=O)N

Isomeric SMILES

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC(=C(C=C3)C)C)C(=O)N

InChI

InChI=1S/C20H25N5O2/c1-4-5-6-7-8-15-22-16(18(21)26)17-19(23-15)25(20(27)24-17)14-10-9-12(2)13(3)11-14/h9-11H,4-8H2,1-3H3,(H2,21,26)(H,24,27)