2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C29H34N3O4S+ MolecularWeight: 520.66296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5)C(C)C

InChI

InChI=1S/C29H33N3O4S/c1-19(2)23-17-24-21(16-27(33)36-26(24)15-20(23)3)18-37-29-30-25-8-5-4-7-22(25)28(34)32(29)10-6-9-31-11-13-35-14-12-31/h4-5,7-8,15-17,19H,6,9-14,18H2,1-3H3/p+1