2-[4-[4-[dimethyl(sulfinato)azaniumyl]-3,5-dimethyl-pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine

Systemtic Name: 2-[4-[4-[dimethyl(sulfinato)azaniumyl]-3,5-dimethyl-pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine Openeye Name: 2-[4-[4-[dimethyl(sulfinato)ammonio]-3,5-dimethyl-pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine CAS Name: 2-[4-[4-[dimethyl(sulfinato)ammonio]-3,5-dimethyl-1-pyrazolyl]-1-(1-piperazinyl)butyl]pyrimidine IUPAC Name: 2-[4-[4-[dimethyl(sulfinato)azaniumyl]-3,5-dimethylpyrazol-1-yl]-1-piperazin-1-ylbutyl]pyrimidine Traditional Name: 2-[4-[4-[dimethyl(sulfinato)ammonio]-3,5-dimethyl-pyrazol-1-yl]-1-piperazino-butyl]pyrimidine Formula: C19H31N7O2S MolecularWeight: 421.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)[N+](C)(C)S(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)[N+](C)(C)S(=O)[O-]

InChI

InChI=1S/C19H31N7O2S/c1-15-18(26(3,4)29(27)28)16(2)25(23-15)12-5-7-17(19-21-8-6-9-22-19)24-13-10-20-11-14-24/h6,8-9,17,20H,5,7,10-14H2,1-4H3