N6-(4-butylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-butylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-butylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-methyl-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)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O2/c1-3-4-8-17-11-13-19(14-12-17)25-21-20(27(28)29)22(24-16-23-21)26(2)15-18-9-6-5-7-10-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,24,25)