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

Systemtic Name: 2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C23H22N4O3S/c1-14-6-4-9-17-20(14)25-19(26-21(17)28)13-31-23-24-18-10-3-2-8-16(18)22(29)27(23)12-15-7-5-11-30-15/h2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,25,26,28)