[3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone CAS Name: [3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidinyl]thio]methyl]phenyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone Traditional Name: (4-benzhydrylpiperazino)-[3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]thio]methyl]phenyl]methanone Formula: C40H40ClN5O3S MolecularWeight: 706.2953

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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)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)Cl)OC

InChI

InChI=1S/C40H40ClN5O3S/c1-48-34-23-31-16-17-46(26-33(31)24-35(34)49-2)37-25-36(41)42-40(43-37)50-27-28-10-9-15-32(22-28)39(47)45-20-18-44(19-21-45)38(29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-15,22-25,38H,16-21,26-27H2,1-2H3