5-nitro-N-(oxolan-2-ylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(2-oxolanylmethyl)-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C20H26N6O3 MolecularWeight: 398.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N6O3/c27-26(28)18-19(21-13-17-7-4-12-29-17)22-15-23-20(18)25-10-8-24(9-11-25)14-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,21,22,23)