4-(3,4-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(3,4-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(3,4-dimethylphenoxy)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)C

InChI

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