N6-(4-butylphenyl)-N4-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(3-chloro-4-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(3-chloro-4-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(3-chloro-4-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2/c1-3-4-5-15-7-10-16(11-8-15)25-20-19(27(28)29)21(24-13-23-20)26-17-9-6-14(2)18(22)12-17/h6-13H,3-5H2,1-2H3,(H2,23,24,25,26)