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

Systemtic Name: 4-[4-chloranyl-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Openeye Name: 4-[4-chloro-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine CAS Name: 4-[4-chloro-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-(3-nitrophenyl)-2-pyrimidinamine IUPAC Name: 4-[4-chloro-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: [4-[4-chloro-3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-yl]-(3-nitrophenyl)amine Formula: C19H14ClN7O2 MolecularWeight: 407.81316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CC(=C(C=C3)Cl)CN4C=NC=N4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CC(=C(C=C3)Cl)CN4C=NC=N4

InChI

InChI=1S/C19H14ClN7O2/c20-17-5-4-13(8-14(17)10-26-12-21-11-23-26)18-6-7-22-19(25-18)24-15-2-1-3-16(9-15)27(28)29/h1-9,11-12H,10H2,(H,22,24,25)