4,6-dimethyl-2-[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]pyrimidine

Systemtic Name: 4,6-dimethyl-2-[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]pyrimidine Openeye Name: 4,6-dimethyl-2-[4-(4-pyrimidin-5-ylphenyl)sulfonyl-1-piperidyl]pyrimidine CAS Name: 4,6-dimethyl-2-[4-[4-(5-pyrimidinyl)phenyl]sulfonyl-1-piperidinyl]pyrimidine IUPAC Name: 4,6-dimethyl-2-[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]pyrimidine Traditional Name: 4,6-dimethyl-2-[4-[4-(5-pyrimidyl)phenyl]sulfonylpiperidino]pyrimidine Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CN=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CN=C4)C

InChI

InChI=1S/C21H23N5O2S/c1-15-11-16(2)25-21(24-15)26-9-7-20(8-10-26)29(27,28)19-5-3-17(4-6-19)18-12-22-14-23-13-18/h3-6,11-14,20H,7-10H2,1-2H3