4-(3,5-dimethylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(3,5-dimethylphenoxy)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-16-12-17(2)14-19(13-16)30-22-20(27(28)29)21(23-15-24-22)26-10-8-25(9-11-26)18-6-4-3-5-7-18/h3-7,12-15H,8-11H2,1-2H3