7-methyl-3-(2-methylpropylsulfanyl)-2-(2-oxidanyl-3-phenoxy-propyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 7-methyl-3-(2-methylpropylsulfanyl)-2-(2-oxidanyl-3-phenoxy-propyl)pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)-3-isobutylsulfanyl-7-methyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 2-(2-hydroxy-3-phenoxypropyl)-7-methyl-3-(2-methylpropylthio)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)-7-methyl-3-(2-methylpropylsulfanyl)pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 2-(2-hydroxy-3-phenoxy-propyl)-3-(isobutylthio)-7-methyl-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C2C(=O)NC(=O)N(C2=NN1CC(COC3=CC=CC=C3)O)C

Isomeric SMILES

CC(C)CSC1=C2C(=O)NC(=O)N(C2=NN1CC(COC3=CC=CC=C3)O)C

InChI

InChI=1S/C19H24N4O4S/c1-12(2)11-28-18-15-16(22(3)19(26)20-17(15)25)21-23(18)9-13(24)10-27-14-7-5-4-6-8-14/h4-8,12-13,24H,9-11H2,1-3H3,(H,20,25,26)