2-(octylamino)-6-(phenylmethyl)thieno[2,3-d][1,3]oxazin-4-one

Systemtic Name: 2-(octylamino)-6-(phenylmethyl)thieno[2,3-d][1,3]oxazin-4-one Openeye Name: 6-benzyl-2-(octylamino)thieno[2,3-d][1,3]oxazin-4-one CAS Name: 2-(octylamino)-6-(phenylmethyl)-4-thieno[2,3-d][1,3]oxazinone IUPAC Name: 6-benzyl-2-(octylamino)thieno[2,3-d][1,3]oxazin-4-one Traditional Name: 6-benzyl-2-(octylamino)thieno[2,3-d][1,3]oxazin-4-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)O1

Isomeric SMILES

CCCCCCCCNC1=NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)O1

InChI

InChI=1S/C21H26N2O2S/c1-2-3-4-5-6-10-13-22-21-23-19-18(20(24)25-21)15-17(26-19)14-16-11-8-7-9-12-16/h7-9,11-12,15H,2-6,10,13-14H2,1H3,(H,22,23)