4-cyclohexyloxy-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-cyclohexyloxy-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(cyclohexoxy)-5-nitro-pyrimidine CAS Name: 4-cyclohexyloxy-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-cyclohexyloxy-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(cyclohexoxy)-5-nitro-pyrimidine Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3/c27-26(28)19-20(22-16-23-21(19)29-18-9-5-2-6-10-18)25-13-11-24(12-14-25)15-17-7-3-1-4-8-17/h1,3-4,7-8,16,18H,2,5-6,9-15H2