6-methyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 6-methyl-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 6-methyl-2-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 6-methyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 6-methyl-2-[[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C22H22N6O2S/c1-16-6-5-9-19-23-17(14-20(29)27(16)19)15-31-22-25-24-21(26-10-12-30-13-11-26)28(22)18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3