2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]quinazolin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C21H18N4O2S/c1-3-11-25-20(27)14-8-4-5-10-16(14)22-21(25)28-12-17-23-18-13(2)7-6-9-15(18)19(26)24-17/h3-10H,1,11-12H2,2H3,(H,23,24,26)