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

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

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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)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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