N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: N'-(benzenesulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: N'-(benzenesulfonyl)-N-(4,6-dimethyl-2-pyrimidinyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: N'-(benzenesulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: N'-besyl-N-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)C2=CC=CC=C2)/N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H23N5O2S/c1-16-14-17(2)24-21(23-16)25-22(26-30(28,29)20-10-4-3-5-11-20)27-13-12-18-8-6-7-9-19(18)15-27/h3-11,14H,12-13,15H2,1-2H3,(H,23,24,25,26)