4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-6-[4-(4-methoxy-3-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxy-3-methyl-phenyl)sulfonylpiperazino]pyrimidine Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)C)C

InChI

InChI=1S/C21H26N6O3S/c1-15-11-18(5-6-19(15)30-4)31(28,29)26-9-7-25(8-10-26)20-13-21(23-14-22-20)27-17(3)12-16(2)24-27/h5-6,11-14H,7-10H2,1-4H3