2-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C12H7N5OS MolecularWeight: 269.28188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=NC=C(C(=O)N3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=C(C(=O)N3)C#N

InChI

InChI=1S/C12H7N5OS/c13-5-7-6-14-11(16-10(7)18)17-12-15-8-3-1-2-4-9(8)19-12/h1-4,6H,(H2,14,15,16,17,18)