2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]ethanoic acid

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-7-yl]ethanoic acid Openeye Name: 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 2-[8-bromo-3-methyl-2,6-dioxo-1-(phenylmethyl)-7-purinyl]acetic acid IUPAC Name: 2-(1-benzyl-8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 2-(1-benzyl-8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetic acid Formula: C15H13BrN4O4 MolecularWeight: 393.19212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC(=O)O

InChI

InChI=1S/C15H13BrN4O4/c1-18-12-11(19(8-10(21)22)14(16)17-12)13(23)20(15(18)24)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,21,22)