4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-yl-pyrimidine Openeye Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-yl-pyrimidine CAS Name: 4-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-(1-pyrazolyl)pyrimidine IUPAC Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine Traditional Name: 4-[4-(4-butoxyphenyl)sulfonylpiperazino]-2-methyl-6-pyrazol-1-yl-pyrimidine Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4C=CC=N4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4C=CC=N4)C

InChI

InChI=1S/C22H28N6O3S/c1-3-4-16-31-19-6-8-20(9-7-19)32(29,30)27-14-12-26(13-15-27)21-17-22(25-18(2)24-21)28-11-5-10-23-28/h5-11,17H,3-4,12-16H2,1-2H3