4-(cyclopropylamino)-2-[(4-ethylsulfonylphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(cyclopropylamino)-2-[(4-ethylsulfonylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-(cyclopropylamino)-2-(4-ethylsulfonylanilino)pyrimidine-5-carbonitrile CAS Name: 4-(cyclopropylamino)-2-(4-ethylsulfonylanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(cyclopropylamino)-2-(4-ethylsulfonylanilino)pyrimidine-5-carbonitrile Traditional Name: 4-(cyclopropylamino)-2-(4-esylanilino)pyrimidine-5-carbonitrile Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C#N

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C#N

InChI

InChI=1S/C16H17N5O2S/c1-2-24(22,23)14-7-5-13(6-8-14)20-16-18-10-11(9-17)15(21-16)19-12-3-4-12/h5-8,10,12H,2-4H2,1H3,(H2,18,19,20,21)