5-[5-methyl-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]sulfanylpyridine-3-carbonitrile

Systemtic Name: 5-[5-methyl-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]sulfanylpyridine-3-carbonitrile Openeye Name: 5-[5-methyl-2-(4-morpholinoanilino)pyrimidin-4-yl]sulfanylpyridine-3-carbonitrile CAS Name: 5-[[5-methyl-2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-[[5-methyl-2-(4-morpholinoanilino)pyrimidin-4-yl]thio]nicotinonitrile Formula: C21H20N6OS MolecularWeight: 404.4881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1SC2=CN=CC(=C2)C#N)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CN=C(N=C1SC2=CN=CC(=C2)C#N)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H20N6OS/c1-15-12-24-21(26-20(15)29-19-10-16(11-22)13-23-14-19)25-17-2-4-18(5-3-17)27-6-8-28-9-7-27/h2-5,10,12-14H,6-9H2,1H3,(H,24,25,26)