2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]-N-phenethyl-ethanamide Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]-N-phenethyl-acetamide CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)-7-purinyl]-N-phenethylacetamide IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]-N-phenethylacetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(phenethylamino)purin-7-yl]-N-phenethyl-acetamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O3/c1-29-22-21(23(33)30(2)25(29)34)31(17-20(32)26-15-13-18-9-5-3-6-10-18)24(28-22)27-16-14-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3,(H,26,32)(H,27,28)