5-methyl-7-(2-methylpropyl)-3-(3-oxidanylpropylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5-methyl-7-(2-methylpropyl)-3-(3-oxidanylpropylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-(3-hydroxypropylsulfanyl)-7-isobutyl-5-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 3-(3-hydroxypropylthio)-5-methyl-7-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 3-(3-hydroxypropylsulfanyl)-5-methyl-7-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-(3-hydroxypropylthio)-7-isobutyl-5-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NN2)SCCCO)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=NN2)SCCCO)C(=O)N(C1=O)C

InChI

InChI=1S/C13H20N4O3S/c1-8(2)7-17-10-9(12(19)16(3)13(17)20)11(15-14-10)21-6-4-5-18/h8,18H,4-7H2,1-3H3,(H,14,15)