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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: N,N-diethyl-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O5S/c1-3-28(4-2)24(31)16-36-26-27-21-7-6-19(29-9-11-33-12-10-29)14-20(21)25(32)30(26)15-18-5-8-22-23(13-18)35-17-34-22/h5-8,13-14H,3-4,9-12,15-17H2,1-2H3