7-nitro-4-phenylsulfanyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid

Systemtic Name: 7-nitro-4-phenylsulfanyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Openeye Name: 7-nitro-4-phenylsulfanyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid CAS Name: 7-nitro-4-(phenylthio)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid IUPAC Name: 7-nitro-4-phenylsulfanyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Traditional Name: 7-nitro-4-(phenylthio)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2-carboxylic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c19-15(20)12-8-14(23-11-4-2-1-3-5-11)17-9-10(18(21)22)6-7-13(17)16-12/h1-7,9,12,14H,8H2,(H,19,20)