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

Systemtic Name: 4-methyl-3-(3-methylbutylsulfanyl)-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-isopentylsulfanyl-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 4-methyl-3-(3-methylbutylthio)-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 4-methyl-3-(3-methylbutylsulfanyl)-1-phenethylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-(isoamylthio)-4-methyl-1-phenethyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN(C2=C1N(C(=O)NC2=O)C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NN(C2=C1N(C(=O)NC2=O)C)CCC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-13(2)10-12-26-18-16-15(17(24)20-19(25)22(16)3)23(21-18)11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,20,24,25)