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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC=N2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC=N2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

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/h1-10,12-13H,11H2,(H,21,23,24)