6-azanyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1H-pyrimidin-4-one Formula: C13H10N6O4S MolecularWeight: 346.3213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(O2)CSC3=NC(=O)C=C(N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(O2)CSC3=NC(=O)C=C(N3)N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O4S/c14-9-5-10(20)16-13(15-9)24-6-11-17-18-12(23-11)7-3-1-2-4-8(7)19(21)22/h1-5H,6H2,(H3,14,15,16,20)