4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-yl-pyrimidine

Systemtic Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-yl-pyrimidine Openeye Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-yl-pyrimidine CAS Name: 4-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-(1-pyrazolyl)pyrimidine IUPAC Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine Traditional Name: 4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-2-methyl-6-pyrazol-1-yl-pyrimidine Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)N4C=CC=N4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)N4C=CC=N4

InChI

InChI=1S/C20H24N6O4S/c1-15-22-19(14-20(23-15)26-8-4-7-21-26)24-9-11-25(12-10-24)31(27,28)18-13-16(29-2)5-6-17(18)30-3/h4-8,13-14H,9-12H2,1-3H3