3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C28H33ClN4O3S MolecularWeight: 541.10462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C28H33ClN4O3S/c1-4-5-6-11-30-27(34)21-9-7-8-19(13-21)18-37-28-31-25(29)16-26(32-28)33-12-10-20-14-23(35-2)24(36-3)15-22(20)17-33/h7-9,13-16H,4-6,10-12,17-18H2,1-3H3,(H,30,34)