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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-nitrophenyl)methylsulfanyl]pyrimidine Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-nitrophenyl)methylsulfanyl]pyrimidine CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-[(3-nitrophenyl)methylthio]pyrimidine IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(3-nitrophenyl)methylsulfanyl]pyrimidine Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-6-[(3-nitrobenzyl)thio]pyrimidine Formula: C21H20FN5O2S MolecularWeight: 425.479203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O2S/c22-17-4-6-18(7-5-17)25-8-10-26(11-9-25)20-13-21(24-15-23-20)30-14-16-2-1-3-19(12-16)27(28)29/h1-7,12-13,15H,8-11,14H2