N6-[(4-methoxyphenyl)methyl]-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-methoxyphenyl)methyl]-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: 1-naphthyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N5O3/c1-30-17-11-9-15(10-12-17)13-23-21-20(27(28)29)22(25-14-24-21)26-19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14H,13H2,1H3,(H2,23,24,25,26)