2-(4-ethoxyphenyl)-3,4-dimethyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine

Systemtic Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine Openeye Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine CAS Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine IUPAC Name: 2-(4-ethoxyphenyl)-3,4-dimethyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrazolo[3,4-d]pyridazine Traditional Name: 3,4-dimethyl-2-p-phenetyl-7-(2-pyrrolidinoethylthio)pyrazolo[3,4-d]pyridazine Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCCN4CCCC4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCCN4CCCC4)C)C

InChI

InChI=1S/C21H27N5OS/c1-4-27-18-9-7-17(8-10-18)26-16(3)19-15(2)22-23-21(20(19)24-26)28-14-13-25-11-5-6-12-25/h7-10H,4-6,11-14H2,1-3H3