4-methyl-3-(2-methylpropylsulfanyl)-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 4-methyl-3-(2-methylpropylsulfanyl)-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-isobutylsulfanyl-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 4-methyl-3-(2-methylpropylthio)-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 4-methyl-3-(2-methylpropylsulfanyl)-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-(isobutylthio)-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN(C2=C1N(C(=O)NC2=O)C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=NN(C2=C1N(C(=O)NC2=O)C)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2S/c1-12(2)11-25-17-15-14(16(23)19-18(24)21(15)3)22(20-17)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,19,23,24)