4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyrimidine Openeye Name: 4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyrimidine CAS Name: 4-[4-(4-methoxy-3-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrazolyl)pyrimidine IUPAC Name: 4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine Traditional Name: 4-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazino]-6-pyrazol-1-yl-pyrimidine Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CC=N4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CC=N4)OC

InChI

InChI=1S/C19H22N6O3S/c1-15-12-16(4-5-17(15)28-2)29(26,27)24-10-8-23(9-11-24)18-13-19(21-14-20-18)25-7-3-6-22-25/h3-7,12-14H,8-11H2,1-2H3