N4-butyl-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-butyl-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-butyl-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-butyl-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-butyl-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: butyl-[2-(4-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=C(C=C2)Cl

Isomeric SMILES

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

InChI

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