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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-phenylazanyl-purin-7-yl]ethanoic acid Openeye Name: 2-(8-anilino-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 2-(8-anilino-1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 2-(8-anilino-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 2-(8-anilino-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C15H15N5O4 MolecularWeight: 329.3107

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O4/c1-18-12-11(13(23)19(2)15(18)24)20(8-10(21)22)14(17-12)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,16,17)(H,21,22)