N-[2-(4-tert-butylphenoxy)ethyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O4/c1-21(2,3)14-6-8-15(9-7-14)30-11-10-22-16(27)12-26-13-23-18-17(26)19(28)25(5)20(29)24(18)4/h6-9,13H,10-12H2,1-5H3,(H,22,27)