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

Systemtic Name: 3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)-5-(3-oxidanylpropylsulfanyl)pyrrolo[3,4-d]pyridazin-4-one Openeye Name: 5-(3-hydroxypropylsulfanyl)-1-isobutyl-3-methyl-6-(1-naphthylmethyl)pyrrolo[3,4-d]pyridazin-4-one CAS Name: 5-(3-hydroxypropylthio)-3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-4-pyrrolo[3,4-d]pyridazinone IUPAC Name: 5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyridazin-4-one Traditional Name: 5-(3-hydroxypropylthio)-1-isobutyl-3-methyl-6-(1-naphthylmethyl)pyrrolo[3,4-d]pyridazin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S/c1-17(2)14-22-21-16-28(15-19-10-6-9-18-8-4-5-11-20(18)19)25(31-13-7-12-29)23(21)24(30)27(3)26-22/h4-6,8-11,16-17,29H,7,12-15H2,1-3H3