4-(4-chlorophenyl)sulfanyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C19H17ClN6O2S MolecularWeight: 428.89528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN6O2S/c20-14-4-6-15(7-5-14)29-19-17(26(27)28)18(22-13-23-19)25-11-9-24(10-12-25)16-3-1-2-8-21-16/h1-8,13H,9-12H2