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

Systemtic Name: N-(2-azanylethyl)-4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]benzamide Openeye Name: N-(2-aminoethyl)-4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]benzamide CAS Name: N-(2-aminoethyl)-4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]benzamide IUPAC Name: N-(2-aminoethyl)-4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]benzamide Traditional Name: N-(2-aminoethyl)-4-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]benzamide Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)NCCN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)NCCN

InChI

InChI=1S/C21H19N5OS/c22-10-12-23-20(27)14-5-7-16(8-6-14)25-21-24-11-9-17(26-21)19-13-15-3-1-2-4-18(15)28-19/h1-9,11,13H,10,12,22H2,(H,23,27)(H,24,25,26)