4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 4-(benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline CAS Name: 4-(1-benzothiophen-2-yl)-2-methyl-7-(4-pyrimidinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 4-(benzothiophen-2-yl)-2-methyl-7-(4-pyrimidyl)-3,4-dihydro-1H-isoquinoline Formula: C22H19N3S MolecularWeight: 357.47136

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)C3=NC=NC=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)C3=NC=NC=C3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H19N3S/c1-25-12-17-10-15(20-8-9-23-14-24-20)6-7-18(17)19(13-25)22-11-16-4-2-3-5-21(16)26-22/h2-11,14,19H,12-13H2,1H3