(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-propanone IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propan-1-one Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23N3OS/c1-16-14-21(19-9-4-3-5-10-19)25-23(24-16)28-17(2)22(27)26-13-12-18-8-6-7-11-20(18)15-26/h3-11,14,17H,12-13,15H2,1-2H3/t17-/m1/s1