2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3N

InChI

InChI=1S/C21H16N4O4S2/c22-25-20(27)18-14(12-4-2-1-3-5-12)9-30-19(18)24-21(25)31-10-17(26)23-13-6-7-15-16(8-13)29-11-28-15/h1-9H,10-11,22H2,(H,23,26)