4-(4-ethylphenoxy)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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