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

Systemtic Name: 4-(4-ethylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-ethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-ethylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-ethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(4-ethylphenoxy)-5-nitro-pyrimidine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c1-2-18-8-10-20(11-9-18)31-23-21(28(29)30)22(24-17-25-23)27-14-12-26(13-15-27)16-19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3