N2-(3-methylbutyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-methylbutyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-isopentyl-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-(3-methylbutyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-methylbutyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-isoamyl-amine Formula: C13H22N6O2 MolecularWeight: 294.35278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CC(C)CCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C13H22N6O2/c1-9(2)5-6-15-13-16-11(14)10(19(20)21)12(17-13)18-7-3-4-8-18/h9H,3-8H2,1-2H3,(H3,14,15,16,17)