3-nitro-N'-[(4-oxidanylidene-2-pyrimidin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide

Systemtic Name: 3-nitro-N'-[(4-oxidanylidene-2-pyrimidin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Openeye Name: 3-nitro-N'-[(4-oxo-2-pyrimidin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide CAS Name: 3-nitro-N'-[[4-oxo-2-(2-pyrimidinylthio)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methyl]benzohydrazide IUPAC Name: 3-nitro-N'-[(4-oxo-2-pyrimidin-2-ylsulfanylpyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Traditional Name: N'-[[4-keto-2-(2-pyrimidylthio)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]-3-nitro-benzohydrazide Formula: C20H14N7O4S+ MolecularWeight: 448.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)N=C(C(=CNNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C2=O)SC4=NC=CC=N4

Isomeric SMILES

C1=CC=[N+]2C(=C1)N=C(C(=CNNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C2=O)SC4=NC=CC=N4

InChI

InChI=1S/C20H13N7O4S/c28-17(13-5-3-6-14(11-13)27(30)31)25-23-12-15-18(32-20-21-8-4-9-22-20)24-16-7-1-2-10-26(16)19(15)29/h1-12H,(H,25,28)/p+1