4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[2-(morpholinomethyl)quinazolin-4-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[[2-(morpholinomethyl)quinazolin-4-yl]thio]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC(=NC5=CC=CC=C54)CN6CCOCC6

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC(=NC5=CC=CC=C54)CN6CCOCC6

InChI

InChI=1S/C26H25N3O3S/c30-25-14-19(21-12-17-4-3-5-18(17)13-23(21)32-25)16-33-26-20-6-1-2-7-22(20)27-24(28-26)15-29-8-10-31-11-9-29/h1-2,6-7,12-14H,3-5,8-11,15-16H2