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

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(3-acetamido-4-fluorophenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C19H21FN6O4 MolecularWeight: 416.406243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

InChI

InChI=1S/C19H21FN6O4/c1-11(27)22-14-9-12(6-7-13(14)20)23-15(28)5-4-8-26-10-21-17-16(26)18(29)25(3)19(30)24(17)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,27)(H,23,28)