N-(4-chlorophenyl)-2-[[9-methyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[[9-methyl-2,6-bis(oxidanylidene)-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[(9-methyl-2,6-dioxo-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[(9-methyl-2,6-dioxo-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[(9-methyl-2,6-dioxo-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[(2,6-diketo-9-methyl-3H-purin-8-yl)thio]acetamide Formula: C14H12ClN5O3S MolecularWeight: 365.79478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC(=O)N2)N=C1SCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC(=O)N2)N=C1SCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN5O3S/c1-20-11-10(12(22)19-13(23)18-11)17-14(20)24-6-9(21)16-8-4-2-7(15)3-5-8/h2-5H,6H2,1H3,(H,16,21)(H2,18,19,22,23)