1-[(4-chlorophenyl)methyl]-3-ethyl-8-propan-2-ylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-propan-2-ylsulfanyl-7H-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-isopropylsulfanyl-7H-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-(propan-2-ylthio)-7H-purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-propan-2-ylsulfanyl-7H-purine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3-ethyl-8-(isopropylthio)-7H-purine-2,6-quinone Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)NC(=N2)SC(C)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)NC(=N2)SC(C)C

InChI

InChI=1S/C17H19ClN4O2S/c1-4-21-14-13(19-16(20-14)25-10(2)3)15(23)22(17(21)24)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,19,20)