2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-ethylphenyl)ethanamide

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-ethylphenyl)ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-ethylphenyl)acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H23N5O3S/c1-5-12-7-9-13(10-8-12)20-14(25)11-28-18-21-16-15(24(18)6-2)17(26)23(4)19(27)22(16)3/h7-10H,5-6,11H2,1-4H3,(H,20,25)