N4-[2,3-bis(chloranyl)phenyl]-N6-butyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,3-bis(chloranyl)phenyl]-N6-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2,3-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(2,3-dichloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H15Cl2N5O2 MolecularWeight: 356.2072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N5O2/c1-2-3-7-17-13-12(21(22)23)14(19-8-18-13)20-10-6-4-5-9(15)11(10)16/h4-6,8H,2-3,7H2,1H3,(H2,17,18,19,20)