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

Systemtic Name: 3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide Openeye Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide CAS Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidinyl]thio]methyl]-N-propylbenzamide IUPAC Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propylbenzamide Traditional Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]thio]methyl]-N-propyl-benzamide Formula: C26H29ClN4O3S MolecularWeight: 513.05146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4O3S/c1-4-9-28-25(32)19-7-5-6-17(11-19)16-35-26-29-23(27)14-24(30-26)31-10-8-18-12-21(33-2)22(34-3)13-20(18)15-31/h5-7,11-14H,4,8-10,15-16H2,1-3H3,(H,28,32)