2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoic acid

Systemtic Name: 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoic acid Openeye Name: 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylbutanoic acid CAS Name: 2-[[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid IUPAC Name: 2-[7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoic acid Traditional Name: 2-[[7-(4-chlorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]thio]butyric acid Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H17ClN4O4S/c1-3-11(15(24)25)27-17-19-13-12(14(23)20-16(26)21(13)2)22(17)8-9-4-6-10(18)7-5-9/h4-7,11H,3,8H2,1-2H3,(H,24,25)(H,20,23,26)