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

Systemtic Name: N-(2,2-dimethoxyethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(2,2-dimethoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,2-dimethoxyethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(2,2-dimethoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2,2-dimethoxyethyl)amine Formula: C19H26N6O4 MolecularWeight: 402.44754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC(CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C19H26N6O4/c1-28-16(29-2)12-20-18-17(25(26)27)19(22-14-21-18)24-10-8-23(9-11-24)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21,22)