methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-phenylazanyl-purin-7-yl]ethanoate

Systemtic Name: methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-phenylazanyl-purin-7-yl]ethanoate Openeye Name: methyl 2-(8-anilino-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-anilino-1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid methyl ester IUPAC Name: methyl 2-(8-anilino-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-anilino-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=CC=C3)CC(=O)OC

InChI

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