2-[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-2-methyl-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C27H22N4S MolecularWeight: 434.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCC3=CC=CC=C3C2)C4=CC(=CN=C4)C5=CC6=CC=CC=C6S5

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCC3=CC=CC=C3C2)C4=CC(=CN=C4)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C27H22N4S/c1-18-29-24(14-27(30-18)31-11-10-19-6-2-3-8-21(19)17-31)22-12-23(16-28-15-22)26-13-20-7-4-5-9-25(20)32-26/h2-9,12-16H,10-11,17H2,1H3