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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-(3-methylbutylsulfanyl)-9H-purine-2,8-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-6-isopentylsulfanyl-3-methyl-9H-purine-2,8-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-(3-methylbutylthio)-9H-purine-2,8-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-(3-methylbutylsulfanyl)-9H-purine-2,8-dione Traditional Name: 7-(4-chlorobenzyl)-6-(isoamylthio)-3-methyl-9H-purine-2,8-quinone Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)N(C2=C1N(C(=O)N2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(C)CCSC1=NC(=O)N(C2=C1N(C(=O)N2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H21ClN4O2S/c1-11(2)8-9-26-16-14-15(22(3)17(24)21-16)20-18(25)23(14)10-12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,20,25)