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

Systemtic Name: 2-[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-(3-chlorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]thio]acetate Formula: C15H12ClN4O4S- MolecularWeight: 379.79818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)[O-])CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)[O-])CC3=CC(=CC=C3)Cl

InChI

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