2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5)C

InChI

InChI=1S/C27H29N3O4S/c1-18-14-22-20(16-25(31)34-24(22)15-19(18)2)17-35-27-28-23-7-4-3-6-21(23)26(32)30(27)9-5-8-29-10-12-33-13-11-29/h3-4,6-7,14-16H,5,8-13,17H2,1-2H3