2-[3-[4-(3-nitropyridin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-(3-nitropyridin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-(3-nitro-4-pyridyl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-(3-nitro-4-pyridinyl)-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-(3-nitropyridin-4-yl)piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-(3-nitro-4-pyridyl)piperazino]propylthio]-1H-pyrimidin-6-one Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=C(C=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=C(C=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3S/c23-15-3-5-18-16(19-15)26-11-1-6-20-7-9-21(10-8-20)13-2-4-17-12-14(13)22(24)25/h2-5,12H,1,6-11H2,(H,18,19,23)