2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide

Systemtic Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-morpholinophenyl)propanamide CAS Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-N-(4-morpholinophenyl)propionamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C20H24N6O2S/c1-13-12-14(2)26-19(21-13)23-24-20(26)29-15(3)18(27)22-16-4-6-17(7-5-16)25-8-10-28-11-9-25/h4-7,12,15H,8-11H2,1-3H3,(H,22,27)