7-[[8-[2,6-bis(fluoranyl)-3-methyl-phenyl]carbonyl-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]-3-methyl-2-methylsulfanyl-quinazolin-4-one

Systemtic Name: 7-[[8-[2,6-bis(fluoranyl)-3-methyl-phenyl]carbonyl-3,8-diazaspiro[4.5]decan-3-yl]carbonyl]-3-methyl-2-methylsulfanyl-quinazolin-4-one Openeye Name: 7-[8-(2,6-difluoro-3-methyl-benzoyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]-3-methyl-2-methylsulfanyl-quinazolin-4-one CAS Name: 7-[[8-[(2,6-difluoro-3-methylphenyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-oxomethyl]-3-methyl-2-(methylthio)-4-quinazolinone IUPAC Name: 7-[8-(2,6-difluoro-3-methylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]-3-methyl-2-methylsulfanylquinazolin-4-one Traditional Name: 7-[8-(2,6-difluoro-3-methyl-benzoyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]-3-methyl-2-(methylthio)quinazolin-4-one Formula: C27H28F2N4O3S MolecularWeight: 526.598026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)F)C(=O)N2CCC3(CC2)CCN(C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=N5)SC)C)F

Isomeric SMILES

CC1=C(C(=C(C=C1)F)C(=O)N2CCC3(CC2)CCN(C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C(=N5)SC)C)F

InChI

InChI=1S/C27H28F2N4O3S/c1-16-4-7-19(28)21(22(16)29)25(36)32-11-8-27(9-12-32)10-13-33(15-27)23(34)17-5-6-18-20(14-17)30-26(37-3)31(2)24(18)35/h4-7,14H,8-13,15H2,1-3H3