N2-(4-chlorophenyl)-5-nitro-N4-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-5-nitro-N4-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-5-nitro-N4-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-5-nitro-N4-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-5-nitro-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[2-(1H-pyrazol-4-yl)ethyl]amine Formula: C15H14ClN7O2 MolecularWeight: 359.77036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC3=CNN=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC3=CNN=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H14ClN7O2/c16-11-1-3-12(4-2-11)21-15-18-9-13(23(24)25)14(22-15)17-6-5-10-7-19-20-8-10/h1-4,7-9H,5-6H2,(H,19,20)(H2,17,18,21,22)