[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-pyrrolidino-methanone Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26)