N6-(4-butylphenyl)-N4-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(3-chlorophenyl)amine Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O2/c1-2-3-5-14-8-10-16(11-9-14)24-19-18(26(27)28)20(23-13-22-19)25-17-7-4-6-15(21)12-17/h4,6-13H,2-3,5H2,1H3,(H2,22,23,24,25)