N6-[(4-methylphenyl)methyl]-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(p-tolylmethyl)-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

InChI

InChI=1S/C17H16N6O2/c1-12-4-6-13(7-5-12)9-19-16-15(23(24)25)17(21-11-20-16)22-14-3-2-8-18-10-14/h2-8,10-11H,9H2,1H3,(H2,19,20,21,22)