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

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-(4-propoxyphenoxy)pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-propoxyphenoxy)pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-6-(4-propoxyphenoxy)pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-propoxyphenoxy)pyrimidine Traditional Name: 4-(4-benzylpiperazino)-5-nitro-6-(4-propoxyphenoxy)pyrimidine Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O4/c1-2-16-32-20-8-10-21(11-9-20)33-24-22(29(30)31)23(25-18-26-24)28-14-12-27(13-15-28)17-19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3