N1-[5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-pyrimidin-2-yl]-3-phenyl-propane-1,2-diamine

Systemtic Name: N1-[5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-pyrimidin-2-yl]-3-phenyl-propane-1,2-diamine Openeye Name: N1-[5-(benzothiophen-2-yl)-4-(4-pyridyl)pyrimidin-2-yl]-3-phenyl-propane-1,2-diamine CAS Name: N1-[5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-2-pyrimidinyl]-3-phenylpropane-1,2-diamine IUPAC Name: 1-N-[5-(1-benzothiophen-2-yl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine Traditional Name: (2-amino-3-phenyl-propyl)-[5-(benzothiophen-2-yl)-4-(4-pyridyl)pyrimidin-2-yl]amine Formula: C26H23N5S MolecularWeight: 437.55932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CNC2=NC=C(C(=N2)C3=CC=NC=C3)C4=CC5=CC=CC=C5S4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CNC2=NC=C(C(=N2)C3=CC=NC=C3)C4=CC5=CC=CC=C5S4)N

InChI

InChI=1S/C26H23N5S/c27-21(14-18-6-2-1-3-7-18)16-29-26-30-17-22(25(31-26)19-10-12-28-13-11-19)24-15-20-8-4-5-9-23(20)32-24/h1-13,15,17,21H,14,16,27H2,(H,29,30,31)