6-chloranyl-2-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(2R)-3-(3-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]thio]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)O

InChI

InChI=1S/C21H21ClN2O3S/c1-3-9-24-20(26)18-11-15(22)7-8-19(18)23-21(24)28-13-16(25)12-27-17-6-4-5-14(2)10-17/h3-8,10-11,16,25H,1,9,12-13H2,2H3/t16-/m1/s1