N-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-(2-morpholin-4-yl-5-nitro-phenyl)methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-(2-morpholino-5-nitro-phenyl)methyleneamino]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(E)-[2-(4-morpholinyl)-5-nitrophenyl]methylideneamino]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(E)-(2-morpholino-5-nitro-benzylidene)amino]-2-(2-pyrimidylthio)acetamide Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H18N6O4S/c24-16(12-28-17-18-4-1-5-19-17)21-20-11-13-10-14(23(25)26)2-3-15(13)22-6-8-27-9-7-22/h1-5,10-11H,6-9,12H2,(H,21,24)/b20-11+