6-(3,4-dimethylphenoxy)-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-(diphenylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-benzhydryl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-(diphenylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-benzhydryl-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: benzhydryl-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22N4O3/c1-17-13-14-21(15-18(17)2)32-25-23(29(30)31)24(26-16-27-25)28-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,1-2H3,(H,26,27,28)