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

Systemtic Name: 3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C26H27ClN4O3S MolecularWeight: 511.03558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5CC5)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5CC5)Cl)OC

InChI

InChI=1S/C26H27ClN4O3S/c1-33-21-11-17-8-9-31(14-19(17)12-22(21)34-2)24-13-23(27)29-26(30-24)35-15-16-4-3-5-18(10-16)25(32)28-20-6-7-20/h3-5,10-13,20H,6-9,14-15H2,1-2H3,(H,28,32)