7,8-dimethyl-4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[2-(morpholinomethyl)quinazolin-4-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[2-(morpholinomethyl)quinazolin-4-yl]thio]methyl]coumarin Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC4=CC=CC=C43)CN5CCOCC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC4=CC=CC=C43)CN5CCOCC5)C

InChI

InChI=1S/C25H25N3O3S/c1-16-7-8-19-18(13-23(29)31-24(19)17(16)2)15-32-25-20-5-3-4-6-21(20)26-22(27-25)14-28-9-11-30-12-10-28/h3-8,13H,9-12,14-15H2,1-2H3