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

Systemtic Name: N4-(4-butylphenyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2/c1-3-4-5-17-10-12-19(13-11-17)26-22-20(27(28)29)21(24-15-25-22)23-14-18-8-6-16(2)7-9-18/h6-13,15H,3-5,14H2,1-2H3,(H2,23,24,25,26)