4-[(3-nitrophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[(3-nitrophenyl)methylthio]-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-[(3-nitrophenyl)methylsulfanyl]-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-[(3-nitrobenzyl)thio]-6-(4-phenylpiperazino)pyrimidine Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O2S/c27-26(28)19-8-4-5-17(13-19)15-29-21-14-20(22-16-23-21)25-11-9-24(10-12-25)18-6-2-1-3-7-18/h1-8,13-14,16H,9-12,15H2