S-[[4-(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]methyl] 2-methylpropanethioate

Systemtic Name: S-[[4-(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]methyl] 2-methylpropanethioate Openeye Name: S-[[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]methyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[[4-(4-oxo-2-pyrido[1,2-a]pyrimidinyl)-2-morpholinyl]methyl] ester IUPAC Name: S-[[4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]methyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[[4-(4-ketopyrido[1,2-a]pyrimidin-2-yl)morpholin-2-yl]methyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCC1CN(CCO1)C2=CC(=O)N3C=CC=CC3=N2

Isomeric SMILES

CC(C)C(=O)SCC1CN(CCO1)C2=CC(=O)N3C=CC=CC3=N2

InChI

InChI=1S/C17H21N3O3S/c1-12(2)17(22)24-11-13-10-19(7-8-23-13)15-9-16(21)20-6-4-3-5-14(20)18-15/h3-6,9,12-13H,7-8,10-11H2,1-2H3