N4-(diphenylmethyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(diphenylmethyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(diphenylmethyl)-N6-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amine Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-2-33-21-16-10-9-15-20(21)28-24-23(30(31)32)25(27-17-26-24)29-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,2H2,1H3,(H2,26,27,28,29)