7-chloranyl-2-(oxan-2-ylmethylsulfanyl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(oxan-2-ylmethylsulfanyl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 7-chloro-2-(2-oxanylmethylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O2S/c22-16-9-10-18-19(12-16)23-21(27-14-17-8-4-5-11-26-17)24(20(18)25)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17H,4-5,8,11,13-14H2