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

Systemtic Name: 2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)thio]-N-(2-furfuryl)acetamide Formula: C17H13FN4O2S MolecularWeight: 356.374123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN4O2S/c18-10-3-4-13-12(6-10)15-16(22-13)17(21-9-20-15)25-8-14(23)19-7-11-2-1-5-24-11/h1-6,9,22H,7-8H2,(H,19,23)