4-(2-hydroxyethylamino)-2-methylsulfonyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(2-hydroxyethylamino)-2-methylsulfonyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 4-(2-hydroxyethylamino)-2-methylsulfonyl-6-(4-phenyl-1-piperidyl)pyrimidine-5-carbonitrile CAS Name: 4-(2-hydroxyethylamino)-2-methylsulfonyl-6-(4-phenyl-1-piperidinyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(2-hydroxyethylamino)-2-methylsulfonyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 4-(2-hydroxyethylamino)-2-mesyl-6-(4-phenylpiperidino)pyrimidine-5-carbonitrile Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)NCCO)C#N)N2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)NCCO)C#N)N2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3S/c1-28(26,27)19-22-17(21-9-12-25)16(13-20)18(23-19)24-10-7-15(8-11-24)14-5-3-2-4-6-14/h2-6,15,25H,7-12H2,1H3,(H,21,22,23)