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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC3=C(N2CC(=O)[O-])C(=O)NC(=O)N3C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC3=C(N2CC(=O)[O-])C(=O)NC(=O)N3C

InChI

InChI=1S/C16H17N5O4/c1-3-20(10-7-5-4-6-8-10)15-17-13-12(21(15)9-11(22)23)14(24)18-16(25)19(13)2/h4-8H,3,9H2,1-2H3,(H,22,23)(H,18,24,25)/p-1