N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C14H16ClN5O2 MolecularWeight: 321.76214

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C14H16ClN5O2/c1-3-6-16-13-12(20(21)22)14(18-8-17-13)19-11-7-10(15)5-4-9(11)2/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18,19)