4-(butylamino)-2-[(4-methylsulfonylphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(butylamino)-2-[(4-methylsulfonylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-(butylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carbonitrile CAS Name: 4-(butylamino)-2-(4-methylsulfonylanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(butylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carbonitrile Traditional Name: 4-(butylamino)-2-(4-mesylanilino)pyrimidine-5-carbonitrile Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCNC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H19N5O2S/c1-3-4-9-18-15-12(10-17)11-19-16(21-15)20-13-5-7-14(8-6-13)24(2,22)23/h5-8,11H,3-4,9H2,1-2H3,(H2,18,19,20,21)