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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenoxybutyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-phenoxybutyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-phenoxybutyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxybutyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-phenoxybutyl)propionamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCCCOC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4/c1-23-18-17(19(27)24(2)20(23)28)25(14-22-18)12-10-16(26)21-11-6-7-13-29-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,21,26)