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

Systemtic Name: N-(2-azanylethyl)-2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]ethanamide Openeye Name: N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide CAS Name: N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide IUPAC Name: N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide Traditional Name: N-(2-aminoethyl)-2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide Formula: C21H28N6O4 MolecularWeight: 428.48482

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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)NCCN

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)