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

Systemtic Name: N4-[2,3-bis(chloranyl)phenyl]-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(2,3-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2,3-dichlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(2,3-dichlorophenyl)amine Formula: C20H19Cl2N5O2 MolecularWeight: 432.30316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C(=CC=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C(=CC=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19Cl2N5O2/c1-2-3-5-13-8-10-14(11-9-13)25-19-18(27(28)29)20(24-12-23-19)26-16-7-4-6-15(21)17(16)22/h4,6-12H,2-3,5H2,1H3,(H2,23,24,25,26)