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

Systemtic Name: N6-[2,5-bis(chloranyl)phenyl]-N4-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(2,5-dichlorophenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(2,5-dichlorophenyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(2,5-dichlorophenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(2,5-dichloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C15H17Cl2N5O2 MolecularWeight: 370.23378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17Cl2N5O2/c1-3-4-7-21(2)15-13(22(23)24)14(18-9-19-15)20-12-8-10(16)5-6-11(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)