N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-morpholin-4-yl-pyridine-3-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-morpholin-4-yl-pyridine-3-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-morpholino-pyridine-3-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-6-(4-morpholinyl)-3-pyridinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-6-morpholino-nicotinamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C22H23N5O2S/c1-15-13-16(2)25-22(24-15)30-19-6-4-18(5-7-19)26-21(28)17-3-8-20(23-14-17)27-9-11-29-12-10-27/h3-8,13-14H,9-12H2,1-2H3,(H,26,28)