5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-propyl-pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-propyl-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-propylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C18H24N6O2 MolecularWeight: 356.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2/c1-2-8-19-17-16(24(25)26)18(21-14-20-17)23-11-9-22(10-12-23)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,19,20,21)