4-azanyl-2-(1,3-benzoxazol-2-ylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(1,3-benzoxazol-2-ylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(1,3-benzoxazol-2-ylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(1,3-benzoxazol-2-ylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(1,3-benzoxazol-2-ylmethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(1,3-benzoxazol-2-ylmethylthio)pyrimidine-5-carbonitrile Formula: C13H9N5OS MolecularWeight: 283.30846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C13H9N5OS/c14-5-8-6-16-13(18-12(8)15)20-7-11-17-9-3-1-2-4-10(9)19-11/h1-4,6H,7H2,(H2,15,16,18)