N-(4-butan-2-ylphenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-(4-sec-butylphenyl)acetamide Formula: C19H24N5O3+ MolecularWeight: 370.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H23N5O3/c1-5-12(2)13-6-8-14(9-7-13)21-15(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)/p+1