2-[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[7-[(3-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[7-(3-chlorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]thio]-N-phenyl-acetamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O3S/c1-26-18-17(19(29)25-20(26)30)27(11-13-6-5-7-14(22)10-13)21(24-18)31-12-16(28)23-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,23,28)(H,25,29,30)