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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O5S/c1-3-17(2)27-24(31)15-36-26-28-21-6-5-19(29-8-10-33-11-9-29)13-20(21)25(32)30(26)14-18-4-7-22-23(12-18)35-16-34-22/h4-7,12-13,17H,3,8-11,14-16H2,1-2H3,(H,27,31)