2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C17H18FN5O3 MolecularWeight: 359.354923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)F

InChI

InChI=1S/C17H18FN5O3/c1-9-5-6-11(7-12(9)18)20-15(24)10(2)23-8-19-14-13(23)16(25)22(4)17(26)21(14)3/h5-8,10H,1-4H3,(H,20,24)