2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N,N-dimethyl-acetamide CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N,N-dimethylacetamide IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N,N-dimethylacetamide Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N,N-dimethyl-acetamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)N(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)N(C)C

InChI

InChI=1S/C21H27N5O4/c1-5-11-25-19-17(20(28)26(12-6-2)21(25)29)22-18(23-19)14-7-9-15(10-8-14)30-13-16(27)24(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,22,23)