7-[(4-chlorophenyl)methyl]-3-methyl-6-propylsulfanyl-9H-purine-2,8-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-propylsulfanyl-9H-purine-2,8-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-propylsulfanyl-9H-purine-2,8-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-(propylthio)-9H-purine-2,8-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-propylsulfanyl-9H-purine-2,8-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-6-(propylthio)-9H-purine-2,8-quinone Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)N(C2=C1N(C(=O)N2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCSC1=NC(=O)N(C2=C1N(C(=O)N2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C16H17ClN4O2S/c1-3-8-24-14-12-13(20(2)15(22)19-14)18-16(23)21(12)9-10-4-6-11(17)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,18,23)