2-methylsulfanyl-N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide Openeye Name: N-(4-isopropylphenyl)-2-methylsulfanyl-4-(4-pyridylmethylamino)pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-p-cumenyl-4-(4-pyridylmethylamino)pyrimidine-5-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2NCC3=CC=NC=C3)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2NCC3=CC=NC=C3)SC

InChI

InChI=1S/C21H23N5OS/c1-14(2)16-4-6-17(7-5-16)25-20(27)18-13-24-21(28-3)26-19(18)23-12-15-8-10-22-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,25,27)(H,23,24,26)