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

Systemtic Name: 2-[8-(azepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxo-purin-7-yl]acetic acid CAS Name: 2-[8-(1-azepanyl)-3-methyl-2,6-dioxo-7-purinyl]acetic acid IUPAC Name: 2-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]acetic acid Traditional Name: 2-[8-(azepan-1-yl)-2,6-diketo-3-methyl-purin-7-yl]acetic acid Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)O

InChI

InChI=1S/C14H19N5O4/c1-17-11-10(12(22)16-14(17)23)19(8-9(20)21)13(15-11)18-6-4-2-3-5-7-18/h2-8H2,1H3,(H,20,21)(H,16,22,23)