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

Systemtic Name: (7-nitro-4-phenylsulfanyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl) hydrogen carbonate Openeye Name: (7-nitro-4-phenylsulfanyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl) hydrogen carbonate CAS Name: carbonic acid [7-nitro-4-(phenylthio)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] ester IUPAC Name: (7-nitro-4-phenylsulfanyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl) hydrogen carbonate Traditional Name: carbonic acid [7-nitro-4-(phenylthio)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-yl] ester Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C2C=CC(=CN2C1SC3=CC=CC=C3)[N+](=O)[O-])OC(=O)O

Isomeric SMILES

C1C(N=C2C=CC(=CN2C1SC3=CC=CC=C3)[N+](=O)[O-])OC(=O)O

InChI

InChI=1S/C15H13N3O5S/c19-15(20)23-13-8-14(24-11-4-2-1-3-5-11)17-9-10(18(21)22)6-7-12(17)16-13/h1-7,9,13-14H,8H2,(H,19,20)