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

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 3-isobutyl-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 3-isobutyl-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]quinazolin-4-one Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C)C(C)C

InChI

InChI=1S/C26H28N2O3S/c1-15(2)13-28-25(30)19-8-6-7-9-22(19)27-26(28)32-14-18-11-24(29)31-23-10-17(5)20(16(3)4)12-21(18)23/h6-12,15-16H,13-14H2,1-5H3