6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-amine CAS Name: 6-[5-(1-benzothiophen-2-yl)-3-pyridinyl]-2-methyl-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-[5-(1-benzothiophen-2-yl)pyridin-3-yl]-2-methyl-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-[5-(benzothiophen-2-yl)-3-pyridyl]-2-methyl-pyrimidin-4-yl]amine Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4S/c1-3-8-23-21-11-18(24-14(2)25-21)16-9-17(13-22-12-16)20-10-15-6-4-5-7-19(15)26-20/h3-7,9-13H,1,8H2,2H3,(H,23,24,25)