2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]-N-(2-methoxyethyl)acetamide Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O6S/c1-32-9-6-26-23(30)15-36-25-27-20-4-3-18(28-7-10-33-11-8-28)13-19(20)24(31)29(25)14-17-2-5-21-22(12-17)35-16-34-21/h2-5,12-13H,6-11,14-16H2,1H3,(H,26,30)