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

Systemtic Name: N4-cyclopentyl-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: cyclopentyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C15H18N6O2 MolecularWeight: 314.34242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O2/c22-21(23)13-14(17-9-11-4-3-7-16-8-11)18-10-19-15(13)20-12-5-1-2-6-12/h3-4,7-8,10,12H,1-2,5-6,9H2,(H2,17,18,19,20)