N-(3-nitrophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-5H-pyrimidin-2-imine

Systemtic Name: N-(3-nitrophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-5H-pyrimidin-2-imine Openeye Name: N-(3-nitrophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-5H-pyrimidin-2-imine CAS Name: N-(3-nitrophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-5H-pyrimidin-2-imine IUPAC Name: N-(3-nitrophenyl)-4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-5H-pyrimidin-2-imine Traditional Name: (3-nitrophenyl)-[4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-5H-pyrimidin-2-ylidene]amine Formula: C19H15N7O2 MolecularWeight: 373.3681

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NC(=NC2=CC(=CC=C2)[N+](=O)[O-])N=C1C3=CC(=CC=C3)CN4C=NC=N4

Isomeric SMILES

C1C=NC(=NC2=CC(=CC=C2)[N+](=O)[O-])N=C1C3=CC(=CC=C3)CN4C=NC=N4

InChI

InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-6,8-10,12-13H,7,11H2