2-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-(7-butyl-3-isobutyl-2,6-dioxo-purin-1-yl)-N-(4-methoxyphenyl)acetamide CAS Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxo-1-purinyl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-(7-butyl-3-isobutyl-2,6-diketo-purin-1-yl)-N-(4-methoxyphenyl)acetamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N5O4/c1-5-6-11-25-14-23-20-19(25)21(29)27(22(30)26(20)12-15(2)3)13-18(28)24-16-7-9-17(31-4)10-8-16/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,24,28)