4-(4-chlorophenyl)sulfanyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidine Formula: C20H17ClFN5O2S MolecularWeight: 445.897683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClFN5O2S/c21-14-5-7-15(8-6-14)30-20-18(27(28)29)19(23-13-24-20)26-11-9-25(10-12-26)17-4-2-1-3-16(17)22/h1-8,13H,9-12H2