7-chloranyl-3-(oxolan-2-ylmethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(oxolan-2-ylmethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one Openeye Name: 7-chloro-2-(2-phenoxyethylsulfanyl)-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 7-chloro-3-(2-oxolanylmethyl)-2-(2-phenoxyethylthio)-4-quinazolinone IUPAC Name: 7-chloro-3-(oxolan-2-ylmethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one Traditional Name: 7-chloro-2-(2-phenoxyethylthio)-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCOC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCOC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O3S/c22-15-8-9-18-19(13-15)23-21(24(20(18)25)14-17-7-4-10-26-17)28-12-11-27-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2