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

Systemtic Name: N6-(2,4-dimethoxyphenyl)-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,4-dimethoxyphenyl)-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H23N5O4/c1-33-19-13-14-20(21(15-19)34-2)28-24-23(30(31)32)25(27-16-26-24)29-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,1-2H3,(H2,26,27,28,29)