2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C19H15FN4OS MolecularWeight: 366.412003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C19H15FN4OS/c20-13-6-7-15-14(8-13)17-18(24-15)19(23-11-22-17)26-10-16(25)21-9-12-4-2-1-3-5-12/h1-8,11,24H,9-10H2,(H,21,25)