N-(4-methylpiperazin-1-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-(4-methyl-1-piperazinyl)-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: (4-methylpiperazino)-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C13H21N7O2 MolecularWeight: 307.35154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C13H21N7O2/c1-17-6-8-19(9-7-17)16-12-11(20(21)22)13(15-10-14-12)18-4-2-3-5-18/h10H,2-9H2,1H3,(H,14,15,16)