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

Systemtic Name: 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-2,6-dioxo-purin-7-yl]acetamide CAS Name: 2-[8-[(4-chlorophenyl)methylthio]-3-methyl-2,6-dioxo-7-purinyl]acetamide IUPAC Name: 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-2,6-dioxopurin-7-yl]acetamide Traditional Name: 2-[8-[(4-chlorobenzyl)thio]-2,6-diketo-3-methyl-purin-7-yl]acetamide Formula: C15H14ClN5O3S MolecularWeight: 379.82136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC(=O)N

InChI

InChI=1S/C15H14ClN5O3S/c1-20-12-11(13(23)19-14(20)24)21(6-10(17)22)15(18-12)25-7-8-2-4-9(16)5-3-8/h2-5H,6-7H2,1H3,(H2,17,22)(H,19,23,24)