2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloranyl-2-morpholin-4-yl-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloranyl-2-morpholin-4-yl-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloro-2-morpholino-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[5-chloro-2-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(5-chloro-2-morpholino-phenyl)acetamide Formula: C16H18ClN5O3S MolecularWeight: 395.86382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C16H18ClN5O3S/c17-10-1-2-12(22-3-5-25-6-4-22)11(7-10)19-15(24)9-26-16-20-13(18)8-14(23)21-16/h1-2,7-8H,3-6,9H2,(H,19,24)(H3,18,20,21,23)