3-(3-chloranyl-4-methoxy-phenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-(2-oxanylmethylthio)-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-26-19-10-9-14(12-17(19)22)24-20(25)16-7-2-3-8-18(16)23-21(24)28-13-15-6-4-5-11-27-15/h2-3,7-10,12,15H,4-6,11,13H2,1H3