3-[[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]amino]propan-1-ol

Systemtic Name: 3-[[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 3-[[6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]amino]propan-1-ol CAS Name: 3-[[6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-2-methyl-4-pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methylpyrimidin-4-yl]amino]propan-1-ol Traditional Name: 3-[[6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]amino]propan-1-ol Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NCCCO)C2=CC(=CN=C2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC(=CC(=N1)NCCCO)C2=CC(=CN=C2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS/c1-14-24-18(11-21(25-14)23-7-4-8-26)16-9-17(13-22-12-16)20-10-15-5-2-3-6-19(15)27-20/h2-3,5-6,9-13,26H,4,7-8H2,1H3,(H,23,24,25)