N6-butyl-N4-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H16ClN5O2 MolecularWeight: 321.76214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)Cl

InChI

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