3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-(4-phenyldiazenylphenyl)propanamide

Systemtic Name: 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-(4-phenyldiazenylphenyl)propanamide Openeye Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylazophenyl)propanamide CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(4-phenyldiazenylphenyl)propanamide IUPAC Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenyldiazenylphenyl)propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylazophenyl)propionamide Formula: C21H17N5O2S MolecularWeight: 403.45698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H17N5O2S/c27-19(10-12-26-14-22-20-18(21(26)28)11-13-29-20)23-15-6-8-17(9-7-15)25-24-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12H2,(H,23,27)