N4-(4-butoxyphenyl)-N6-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-N6-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N5O3/c1-3-4-13-29-18-11-9-17(10-12-18)25-21-19(26(27)28)20(22-14-23-21)24-16-7-5-15(2)6-8-16/h5-12,14H,3-4,13H2,1-2H3,(H2,22,23,24,25)