2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-[(4-isopropylphenyl)-(2-thienyl)methyl]acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-[p-cumenyl(2-thienyl)methyl]acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C23H25N5O3S/c1-14(2)15-7-9-16(10-8-15)19(17-6-5-11-32-17)25-18(29)12-28-22(30)20-21(24-13-26(20)3)27(4)23(28)31/h5-11,13-14,19H,12H2,1-4H3,(H,25,29)