6-cyano-N-[4-[5-methyl-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]sulfanylphenyl]pyridine-3-carboxamide

Systemtic Name: 6-cyano-N-[4-[5-methyl-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]sulfanylphenyl]pyridine-3-carboxamide Openeye Name: 6-cyano-N-[4-[5-methyl-2-(4-morpholinoanilino)pyrimidin-4-yl]sulfanylphenyl]pyridine-3-carboxamide CAS Name: 6-cyano-N-[4-[[5-methyl-2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]thio]phenyl]-3-pyridinecarboxamide IUPAC Name: 6-cyano-N-[4-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]sulfanylphenyl]pyridine-3-carboxamide Traditional Name: 6-cyano-N-[4-[[5-methyl-2-(4-morpholinoanilino)pyrimidin-4-yl]thio]phenyl]nicotinamide Formula: C28H25N7O2S MolecularWeight: 523.6088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1SC2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)C#N)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=CN=C(N=C1SC2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)C#N)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C28H25N7O2S/c1-19-17-31-28(33-22-4-8-24(9-5-22)35-12-14-37-15-13-35)34-27(19)38-25-10-6-21(7-11-25)32-26(36)20-2-3-23(16-29)30-18-20/h2-11,17-18H,12-15H2,1H3,(H,32,36)(H,31,33,34)