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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

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