4-(1-methanoylpiperidin-4-yl)oxy-6-[(4-methylsulfonylphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(1-methanoylpiperidin-4-yl)oxy-6-[(4-methylsulfonylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-[(1-formyl-4-piperidyl)oxy]-6-(4-methylsulfonylanilino)pyrimidine-5-carbonitrile CAS Name: 4-[(1-formyl-4-piperidinyl)oxy]-6-(4-methylsulfonylanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(1-formylpiperidin-4-yl)oxy-6-(4-methylsulfonylanilino)pyrimidine-5-carbonitrile Traditional Name: 4-[(1-formyl-4-piperidyl)oxy]-6-(4-mesylanilino)pyrimidine-5-carbonitrile Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C=O)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C=O)C#N

InChI

InChI=1S/C18H19N5O4S/c1-28(25,26)15-4-2-13(3-5-15)22-17-16(10-19)18(21-11-20-17)27-14-6-8-23(12-24)9-7-14/h2-5,11-12,14H,6-9H2,1H3,(H,20,21,22)