methyl N-[2-[(4-chlorophenyl)sulfanylmethylsulfanyl]-7H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-[(4-chlorophenyl)sulfanylmethylsulfanyl]-7H-purin-8-yl]carbamate Openeye Name: methyl N-[2-[(4-chlorophenyl)sulfanylmethylsulfanyl]-7H-purin-8-yl]carbamate CAS Name: N-[2-[[(4-chlorophenyl)thio]methylthio]-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(4-chlorophenyl)sulfanylmethylsulfanyl]-7H-purin-8-yl]carbamate Traditional Name: N-[2-[[(4-chlorophenyl)thio]methylthio]-7H-purin-8-yl]carbamic acid methyl ester Formula: C14H12ClN5O2S2 MolecularWeight: 381.86038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN5O2S2/c1-22-14(21)20-12-17-10-6-16-13(19-11(10)18-12)24-7-23-9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H2,16,17,18,19,20,21)