2-[3-methyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]ethanoate

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-(phenethylamino)purin-7-yl]ethanoate Openeye Name: 2-[3-methyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(phenethylamino)-7-purinyl]acetate IUPAC Name: 2-[3-methyl-2,6-dioxo-8-(phenethylamino)purin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-(phenethylamino)purin-7-yl]acetate Formula: C16H16N5O4- MolecularWeight: 342.32934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C16H17N5O4/c1-20-13-12(14(24)19-16(20)25)21(9-11(22)23)15(18-13)17-8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,18)(H,22,23)(H,19,24,25)/p-1