5-methyl-2-(octylamino)-4-oxidanylidene-N-(pyridin-4-ylmethyl)thieno[2,3-d][1,3]oxazine-6-carboxamide

Systemtic Name: 5-methyl-2-(octylamino)-4-oxidanylidene-N-(pyridin-4-ylmethyl)thieno[2,3-d][1,3]oxazine-6-carboxamide Openeye Name: 5-methyl-2-(octylamino)-4-oxo-N-(4-pyridylmethyl)thieno[2,3-d][1,3]oxazine-6-carboxamide CAS Name: 5-methyl-2-(octylamino)-4-oxo-N-(pyridin-4-ylmethyl)-6-thieno[2,3-d][1,3]oxazinecarboxamide IUPAC Name: 5-methyl-2-(octylamino)-4-oxo-N-(pyridin-4-ylmethyl)thieno[2,3-d][1,3]oxazine-6-carboxamide Traditional Name: 4-keto-5-methyl-2-(octylamino)-N-(4-pyridylmethyl)thieno[2,3-d][1,3]oxazine-6-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)NCC3=CC=NC=C3)C)C(=O)O1

Isomeric SMILES

CCCCCCCCNC1=NC2=C(C(=C(S2)C(=O)NCC3=CC=NC=C3)C)C(=O)O1

InChI

InChI=1S/C22H28N4O3S/c1-3-4-5-6-7-8-11-24-22-26-20-17(21(28)29-22)15(2)18(30-20)19(27)25-14-16-9-12-23-13-10-16/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,24,26)(H,25,27)