3-methyl-1-(2-methylpropyl)-5-(3-oxidanylpropylsulfanyl)-6-(phenylmethyl)pyrrolo[3,4-d]pyridazin-4-one

Systemtic Name: 3-methyl-1-(2-methylpropyl)-5-(3-oxidanylpropylsulfanyl)-6-(phenylmethyl)pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 6-benzyl-5-(3-hydroxypropylsulfanyl)-1-isobutyl-3-methyl-pyrrolo[3,4-d]pyridazin-4-one CAS Name: 5-(3-hydroxypropylthio)-3-methyl-1-(2-methylpropyl)-6-(phenylmethyl)-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 6-benzyl-5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one Traditional Name: 6-benzyl-5-(3-hydroxypropylthio)-1-isobutyl-3-methyl-pyrrolo[3,4-d]pyridazin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=C(N(C=C12)CC3=CC=CC=C3)SCCCO)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=C(N(C=C12)CC3=CC=CC=C3)SCCCO)C

InChI

InChI=1S/C21H27N3O2S/c1-15(2)12-18-17-14-24(13-16-8-5-4-6-9-16)21(27-11-7-10-25)19(17)20(26)23(3)22-18/h4-6,8-9,14-15,25H,7,10-13H2,1-3H3