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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-phenoxyphenyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-phenoxyphenyl)propionamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O4/c1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)13-12-18(28)24-15-8-10-17(11-9-15)31-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,24,28)