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

Systemtic Name: 5-nitro-N6-(phenylmethyl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(phenylmethyl)-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2/c24-23(25)15-16(19-10-13-5-2-1-3-6-13)21-12-22-17(15)20-11-14-7-4-8-18-9-14/h1-9,12H,10-11H2,(H2,19,20,21,22)