N4-(3-methoxyphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methoxyphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(3-methoxyphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(3-methoxyphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(m-anisidino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c1-27-16-9-5-8-15(12-16)23-19-17(24(25)26)18(21-13-22-19)20-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,20,21,22,23)