1-[4-[(2R)-3-(2-methylquinazolin-4-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2R)-3-(2-methylquinazolin-4-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2R)-2-hydroxy-3-(2-methylquinazolin-4-yl)sulfanyl-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2R)-2-hydroxy-3-[(2-methyl-4-quinazolinyl)thio]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-(2-methylquinazolin-4-yl)sulfanylpropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2R)-2-hydroxy-3-[(2-methylquinazolin-4-yl)thio]propoxy]phenyl]propan-1-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CSC2=NC(=NC3=CC=CC=C32)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](CSC2=NC(=NC3=CC=CC=C32)C)O

InChI

InChI=1S/C21H22N2O3S/c1-3-20(25)15-8-10-17(11-9-15)26-12-16(24)13-27-21-18-6-4-5-7-19(18)22-14(2)23-21/h4-11,16,24H,3,12-13H2,1-2H3/t16-/m1/s1