4-(methylamino)-6-methylsulfanyl-N-(4-propan-2-ylphenyl)-2-pyridin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-(methylamino)-6-methylsulfanyl-N-(4-propan-2-ylphenyl)-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-(4-isopropylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: 4-(methylamino)-6-(methylthio)-N-(4-propan-2-ylphenyl)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 4-(methylamino)-6-methylsulfanyl-N-(4-propan-2-ylphenyl)-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: 4-(methylamino)-6-(methylthio)-N-p-cumenyl-2-(4-pyridyl)pyrimidine-5-carboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NC

InChI

InChI=1S/C21H23N5OS/c1-13(2)14-5-7-16(8-6-14)24-20(27)17-19(22-3)25-18(26-21(17)28-4)15-9-11-23-12-10-15/h5-13H,1-4H3,(H,24,27)(H,22,25,26)