4-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)-1H-indole-3-carboxamide

Systemtic Name: 4-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)-1H-indole-3-carboxamide Openeye Name: 4-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)-1H-indole-3-carboxamide CAS Name: 4-[(2-amino-4-pyrimidinyl)methylthio]-N-(4-chlorophenyl)-1H-indole-3-carboxamide IUPAC Name: 4-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)-1H-indole-3-carboxamide Traditional Name: 4-[(2-aminopyrimidin-4-yl)methylthio]-N-(4-chlorophenyl)-1H-indole-3-carboxamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC3=NC(=NC=C3)N)C(=CN2)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)SCC3=NC(=NC=C3)N)C(=CN2)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c21-12-4-6-13(7-5-12)25-19(27)15-10-24-16-2-1-3-17(18(15)16)28-11-14-8-9-23-20(22)26-14/h1-10,24H,11H2,(H,25,27)(H2,22,23,26)