2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-cyano-2-morpholin-4-yl-pyrimidin-4-yl)ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-cyano-2-morpholin-4-yl-pyrimidin-4-yl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-cyano-2-morpholino-pyrimidin-4-yl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[5-cyano-2-(4-morpholinyl)-4-pyrimidinyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-cyano-2-morpholin-4-ylpyrimidin-4-yl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(5-cyano-2-morpholino-pyrimidin-4-yl)acetamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3)C#N

Isomeric SMILES

C1COCCN1C2=NC=C(C(=N2)NC(=O)CSC3=NC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C18H16N6O3S/c19-9-12-10-20-17(24-5-7-26-8-6-24)23-16(12)22-15(25)11-28-18-21-13-3-1-2-4-14(13)27-18/h1-4,10H,5-8,11H2,(H,20,22,23,25)