N4-methyl-5-nitro-N2-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-methyl-5-nitro-N2-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-benzyloxyphenyl)-N4-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-methyl-5-nitro-N2-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-methyl-5-nitro-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-benzoxyanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3/c1-19-17-16(23(24)25)11-20-18(22-17)21-14-7-9-15(10-8-14)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H2,19,20,21,22)