3-[[4-(2-azanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-azanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(2-aminothiazol-5-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(2-amino-5-thiazolyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(2-amino-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(2-aminothiazol-5-yl)pyrimidin-2-yl]amino]benzonitrile Formula: C14H10N6S MolecularWeight: 294.3344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN=C(S3)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN=C(S3)N)C#N

InChI

InChI=1S/C14H10N6S/c15-7-9-2-1-3-10(6-9)19-14-17-5-4-11(20-14)12-8-18-13(16)21-12/h1-6,8H,(H2,16,18)(H,17,19,20)