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

Systemtic Name: 6-azanyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[5-(2-thienyl)isoxazol-3-yl]methylthio]-1H-pyrimidin-4-one Formula: C12H10N4O2S2 MolecularWeight: 306.3634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C12H10N4O2S2/c13-10-5-11(17)15-12(14-10)20-6-7-4-8(18-16-7)9-2-1-3-19-9/h1-5H,6H2,(H3,13,14,15,17)