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

Systemtic Name: N6-(4-butylphenyl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O2/c1-2-3-10-20-15-17-23(18-16-20)30-26-25(32(33)34)27(29-19-28-26)31-24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-19,24H,2-3,10H2,1H3,(H2,28,29,30,31)