4-azanyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[5-(2-thienyl)isoxazol-3-yl]methylthio]pyrimidine-5-carbonitrile Formula: C13H9N5OS2 MolecularWeight: 315.37346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5OS2/c14-5-8-6-16-13(17-12(8)15)21-7-9-4-10(19-18-9)11-2-1-3-20-11/h1-4,6H,7H2,(H2,15,16,17)