3-nitro-N-[(E)-(4-oxidanylidene-2-pyrimidin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide

Systemtic Name: 3-nitro-N-[(E)-(4-oxidanylidene-2-pyrimidin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide Openeye Name: 3-nitro-N-[(E)-(4-oxo-2-pyrimidin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methyleneamino]benzamide CAS Name: 3-nitro-N-[(E)-[4-oxo-2-(2-pyrimidinylthio)-3-pyrido[1,2-a]pyrimidinyl]methylideneamino]benzamide IUPAC Name: 3-nitro-N-[(E)-(4-oxo-2-pyrimidin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide Traditional Name: N-[(E)-[4-keto-2-(2-pyrimidylthio)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]-3-nitro-benzamide Formula: C20H13N7O4S MolecularWeight: 447.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C(C(=O)N2C=C1)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC4=NC=CC=N4

Isomeric SMILES

C1=CC2=NC(=C(C(=O)N2C=C1)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[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)/b23-12+