1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline

Systemtic Name: 1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline Openeye Name: 1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline CAS Name: 1-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3,3-dimethyl-4H-isoquinoline IUPAC Name: 1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline Traditional Name: 1-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3,3-dimethyl-4H-isoquinoline Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC(CC3=CC=CC=C32)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC(CC3=CC=CC=C32)(C)C)C

InChI

InChI=1S/C18H21N3S/c1-12-9-13(2)20-17(19-12)22-11-16-15-8-6-5-7-14(15)10-18(3,4)21-16/h5-9H,10-11H2,1-4H3