N4-(4-methoxyphenyl)-6-methyl-N2-naphthalen-1-yl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-(4-methoxyphenyl)-6-methyl-N2-naphthalen-1-yl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-(4-methoxyphenyl)-6-methyl-N2-(1-naphthyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-(4-methoxyphenyl)-6-methyl-N2-(1-naphthalenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-6-methyl-2-N-naphthalen-1-yl-5-nitropyrimidine-2,4-diamine Traditional Name: (4-methoxyphenyl)-[6-methyl-2-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=CC3=CC=CC=C32)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=CC3=CC=CC=C32)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3/c1-14-20(27(28)29)21(24-16-10-12-17(30-2)13-11-16)26-22(23-14)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,1-2H3,(H2,23,24,25,26)