4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)-N-methyl-benzenesulfonamide

Systemtic Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)-N-methyl-benzenesulfonamide Openeye Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)-N-methyl-benzenesulfonamide CAS Name: 4-[[5-cyano-4-(cyclopropylamino)-2-pyrimidinyl]amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide IUPAC Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)-N-methylbenzenesulfonamide Traditional Name: 4-[[5-cyano-4-(cyclopropylamino)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)-N-methyl-benzenesulfonamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C#N

Isomeric SMILES

CN(CCOC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)C#N

InChI

InChI=1S/C18H22N6O3S/c1-24(9-10-27-2)28(25,26)16-7-5-15(6-8-16)22-18-20-12-13(11-19)17(23-18)21-14-3-4-14/h5-8,12,14H,3-4,9-10H2,1-2H3,(H2,20,21,22,23)