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

Systemtic Name: 5-nitro-4-phenylsulfanyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 5-nitro-4-phenylsulfanyl-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 5-nitro-4-(phenylthio)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 5-nitro-4-phenylsulfanyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 5-nitro-4-(phenylthio)-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O2S/c26-25(27)17-18(21-14-22-19(17)28-15-6-2-1-3-7-15)24-12-10-23(11-13-24)16-8-4-5-9-20-16/h1-9,14H,10-13H2