ethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C21H20N4O2S/c1-4-27-20(26)18-17(12-28-21-22-13(2)11-14(3)23-21)24-19-16-8-6-5-7-15(16)9-10-25(18)19/h5-11H,4,12H2,1-3H3