2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetic acid CAS Name: 2-[[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid IUPAC Name: 2-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetic acid Traditional Name: 2-[[7-(2-chlorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid Formula: C15H13ClN4O4S MolecularWeight: 380.80612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C15H13ClN4O4S/c1-19-12-11(13(23)18-14(19)24)20(15(17-12)25-7-10(21)22)6-8-4-2-3-5-9(8)16/h2-5H,6-7H2,1H3,(H,21,22)(H,18,23,24)