N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(2-chlorobenzyl)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)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O2/c1-2-3-6-15-9-11-17(12-10-15)26-21-19(27(28)29)20(24-14-25-21)23-13-16-7-4-5-8-18(16)22/h4-5,7-12,14H,2-3,6,13H2,1H3,(H2,23,24,25,26)