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

Systemtic Name: N6-(4-butoxyphenyl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O3/c1-2-3-18-35-23-16-14-22(15-17-23)30-26-25(32(33)34)27(29-19-28-26)31-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,19,24H,2-3,18H2,1H3,(H2,28,29,30,31)