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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]-N-(3-methoxypropyl)acetamide Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O6S/c1-33-10-2-7-27-24(31)16-37-26-28-21-5-4-19(29-8-11-34-12-9-29)14-20(21)25(32)30(26)15-18-3-6-22-23(13-18)36-17-35-22/h3-6,13-14H,2,7-12,15-17H2,1H3,(H,27,31)