5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-(3-oxidanylpropylsulfanyl)pyrazolo[3,4-d]pyridazin-4-one

Systemtic Name: 5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-(3-oxidanylpropylsulfanyl)pyrazolo[3,4-d]pyridazin-4-one Openeye Name: 3-(3-hydroxypropylsulfanyl)-7-isobutyl-5-methyl-2-(1-naphthylmethyl)pyrazolo[3,4-d]pyridazin-4-one CAS Name: 3-(3-hydroxypropylthio)-5-methyl-7-(2-methylpropyl)-2-(1-naphthalenylmethyl)-4-pyrazolo[3,4-d]pyridazinone IUPAC Name: 3-(3-hydroxypropylsulfanyl)-5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyridazin-4-one Traditional Name: 3-(3-hydroxypropylthio)-7-isobutyl-5-methyl-2-(1-naphthylmethyl)pyrazolo[3,4-d]pyridazin-4-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=C(N(N=C12)CC3=CC=CC4=CC=CC=C43)SCCCO)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=C(N(N=C12)CC3=CC=CC4=CC=CC=C43)SCCCO)C

InChI

InChI=1S/C24H28N4O2S/c1-16(2)14-20-22-21(23(30)27(3)25-20)24(31-13-7-12-29)28(26-22)15-18-10-6-9-17-8-4-5-11-19(17)18/h4-6,8-11,16,29H,7,12-15H2,1-3H3