4-azanyl-2-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[2-(2-keto-1,3-benzoxazol-3-yl)ethylthio]pyrimidine-5-carbonitrile Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C14H11N5O2S/c15-7-9-8-17-13(18-12(9)16)22-6-5-19-10-3-1-2-4-11(10)21-14(19)20/h1-4,8H,5-6H2,(H2,16,17,18)