N4-(3-methylpyridin-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylpyridin-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(3-methyl-2-pyridyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(3-methyl-2-pyridinyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylpyridin-2-yl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: (3-methyl-2-pyridyl)-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O2/c1-13-6-5-10-19-16(13)23-18-15(24(25)26)17(21-12-22-18)20-11-9-14-7-3-2-4-8-14/h2-8,10,12H,9,11H2,1H3,(H2,19,20,21,22,23)