3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-thienylmethyl)propanamide CAS Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(8-fluoro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)-N-(2-thenyl)propionamide Formula: C18H15FN4O2S MolecularWeight: 370.400703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F

Isomeric SMILES

C1=CSC(=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F

InChI

InChI=1S/C18H15FN4O2S/c19-11-3-4-14-13(8-11)16-17(22-14)18(25)23(10-21-16)6-5-15(24)20-9-12-2-1-7-26-12/h1-4,7-8,10,22H,5-6,9H2,(H,20,24)