3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-2-(2-hydroxyethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-2-(2-hydroxyethylsulfanyl)quinazolin-4-one Openeye Name: 6-chloro-2-(2-hydroxyethylsulfanyl)-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one CAS Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-2-(2-hydroxyethylthio)-4-quinazolinone IUPAC Name: 3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-2-(2-hydroxyethylsulfanyl)quinazolin-4-one Traditional Name: 6-chloro-2-(2-hydroxyethylthio)-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-4-one Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCCO

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCCO

InChI

InChI=1S/C20H21ClN2O2S/c1-3-13(2)14-4-7-16(8-5-14)23-19(25)17-12-15(21)6-9-18(17)22-20(23)26-11-10-24/h4-9,12-13,24H,3,10-11H2,1-2H3/t13-/m0/s1