N-(5-chloranyl-2-phenylsulfanyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-phenylsulfanyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(5-chloro-2-phenylsulfanyl-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[5-chloro-2-(phenylthio)phenyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(5-chloro-2-phenylsulfanylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-[5-chloro-2-(phenylthio)phenyl]-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O3S/c1-25-19-18(20(29)26(2)21(25)30)27(12-23-19)11-17(28)24-15-10-13(22)8-9-16(15)31-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,24,28)