N4-(3,5-dimethylphenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O2/c1-12-6-13(2)8-15(7-12)23-18-16(24(25)26)17(21-11-22-18)20-10-14-4-3-5-19-9-14/h3-9,11H,10H2,1-2H3,(H2,20,21,22,23)