5-nitro-N4-(1-phenylethyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(1-phenylethyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(1-phenylethyl)-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(1-phenylethyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

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