2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(5-methyl-2-thiophenyl)methyl]-N-phenethylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-phenethylacetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C23H25N5O3S/c1-16-9-10-18(32-16)13-27(12-11-17-7-5-4-6-8-17)19(29)14-28-15-24-21-20(28)22(30)26(3)23(31)25(21)2/h4-10,15H,11-14H2,1-3H3