2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C22H30N6O3S MolecularWeight: 458.577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC(=O)NC3=CC=CC=C3SC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC(=O)NC3=CC=CC=C3SC)CC

InChI

InChI=1S/C22H30N6O3S/c1-5-7-12-28-20-19(21(30)25-22(28)31)27(6-2)17(24-20)13-26(3)14-18(29)23-15-10-8-9-11-16(15)32-4/h8-11H,5-7,12-14H2,1-4H3,(H,23,29)(H,25,30,31)