3-butan-2-ylsulfanyl-1-[(2-chlorophenyl)methyl]-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 3-butan-2-ylsulfanyl-1-[(2-chlorophenyl)methyl]-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-4-methyl-3-sec-butylsulfanyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 3-(butan-2-ylthio)-1-[(2-chlorophenyl)methyl]-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 3-butan-2-ylsulfanyl-1-[(2-chlorophenyl)methyl]-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-(2-chlorobenzyl)-4-methyl-3-(sec-butylthio)pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN(C2=C1N(C(=O)NC2=O)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCC(C)SC1=NN(C2=C1N(C(=O)NC2=O)C)CC3=CC=CC=C3Cl

InChI

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