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

Systemtic Name: N-butan-2-yl-3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C27H31ClN4O3S MolecularWeight: 527.07804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN4O3S/c1-5-17(2)29-26(33)20-8-6-7-18(11-20)16-36-27-30-24(28)14-25(31-27)32-10-9-19-12-22(34-3)23(35-4)13-21(19)15-32/h6-8,11-14,17H,5,9-10,15-16H2,1-4H3,(H,29,33)