5-nitro-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-nitro-4-(8-quinolylsulfanyl)-1H-pyrimidin-6-one CAS Name: 5-nitro-4-(8-quinolinylthio)-1H-pyrimidin-6-one IUPAC Name: 5-nitro-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-nitro-4-(8-quinolylthio)-1H-pyrimidin-6-one Formula: C13H8N4O3S MolecularWeight: 300.29262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=C(C(=O)NC=N3)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=C(C(=O)NC=N3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C13H8N4O3S/c18-12-11(17(19)20)13(16-7-15-12)21-9-5-1-3-8-4-2-6-14-10(8)9/h1-7H,(H,15,16,18)