4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(2-pyrrolidinoethyl)benzamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5OS/c31-24(26-13-16-30-14-3-4-15-30)18-7-9-20(10-8-18)28-25-27-12-11-21(29-25)23-17-19-5-1-2-6-22(19)32-23/h1-2,5-12,17H,3-4,13-16H2,(H,26,31)(H,27,28,29)