5-[(5-ethynylthiophen-2-yl)carbonylamino]-N-[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-2-oxidanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: 5-[(5-ethynylthiophen-2-yl)carbonylamino]-N-[3-methyl-4-(3-oxidanylidenemorpholin-4-yl)phenyl]-2-oxidanylidene-1,3-diazinane-5-carboxamide Openeye Name: 5-[(5-ethynylthiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-hexahydropyrimidine-5-carboxamide CAS Name: 5-[[(5-ethynyl-2-thiophenyl)-oxomethyl]amino]-N-[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]-2-oxo-1,3-diazinane-5-carboxamide IUPAC Name: 5-[(5-ethynylthiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-diazinane-5-carboxamide Traditional Name: 5-[(5-ethynylthiophene-2-carbonyl)amino]-2-keto-N-[4-(3-ketomorpholino)-3-methyl-phenyl]hexahydropyrimidine-5-carboxamide Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2(CNC(=O)NC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2(CNC(=O)NC2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

InChI

InChI=1S/C23H23N5O5S/c1-3-16-5-7-18(34-16)20(30)27-23(12-24-22(32)25-13-23)21(31)26-15-4-6-17(14(2)10-15)28-8-9-33-11-19(28)29/h1,4-7,10H,8-9,11-13H2,2H3,(H,26,31)(H,27,30)(H2,24,25,32)