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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

InChI

InChI=1S/C17H18FN5O3/c1-10-4-5-11(8-12(10)18)20-13(24)6-7-23-9-19-15-14(23)16(25)22(3)17(26)21(15)2/h4-5,8-9H,6-7H2,1-3H3,(H,20,24)