4-[5-(1-benzothiophen-2-yl)pyrimidin-2-yl]-1,4-diazabicyclo[3.2.2]nonane

Systemtic Name: 4-[5-(1-benzothiophen-2-yl)pyrimidin-2-yl]-1,4-diazabicyclo[3.2.2]nonane Openeye Name: 4-[5-(benzothiophen-2-yl)pyrimidin-2-yl]-1,4-diazabicyclo[3.2.2]nonane CAS Name: 4-[5-(1-benzothiophen-2-yl)-2-pyrimidinyl]-1,4-diazabicyclo[3.2.2]nonane IUPAC Name: 4-[5-(1-benzothiophen-2-yl)pyrimidin-2-yl]-1,4-diazabicyclo[3.2.2]nonane Traditional Name: 4-[5-(benzothiophen-2-yl)pyrimidin-2-yl]-1,4-diazabicyclo[3.2.2]nonane Formula: C19H20N4S MolecularWeight: 336.4539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C3=NC=C(C=N3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CN2CCC1N(CC2)C3=NC=C(C=N3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C19H20N4S/c1-2-4-17-14(3-1)11-18(24-17)15-12-20-19(21-13-15)23-10-9-22-7-5-16(23)6-8-22/h1-4,11-13,16H,5-10H2