(4-phenylsulfanyl-2-pyridin-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl) hydrogen carbonate

Systemtic Name: (4-phenylsulfanyl-2-pyridin-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl) hydrogen carbonate Openeye Name: [4-phenylsulfanyl-2-(2-pyridyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl] hydrogen carbonate CAS Name: carbonic acid [4-(phenylthio)-2-(2-pyridinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl] ester IUPAC Name: (4-phenylsulfanyl-2-pyridin-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl) hydrogen carbonate Traditional Name: carbonic acid [4-(phenylthio)-2-(2-pyridyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C2C(=CC=CN2C1SC3=CC=CC=C3)OC(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1C(N=C2C(=CC=CN2C1SC3=CC=CC=C3)OC(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C20H17N3O3S/c24-20(25)26-17-10-6-12-23-18(27-14-7-2-1-3-8-14)13-16(22-19(17)23)15-9-4-5-11-21-15/h1-12,16,18H,13H2,(H,24,25)