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

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-phenyl-acetamide CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-phenylacetamide IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-phenylacetamide Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenoxy]-N-phenyl-acetamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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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)NC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-3-14-29-23-21(24(32)30(15-4-2)25(29)33)27-22(28-23)17-10-12-19(13-11-17)34-16-20(31)26-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,26,31)(H,27,28)