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

Systemtic Name: 3-[8-(azepan-1-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 3-[8-(azepan-1-yl)-3-methyl-2,6-dioxo-purin-7-yl]propanoic acid CAS Name: 3-[8-(1-azepanyl)-3-methyl-2,6-dioxo-7-purinyl]propanoic acid IUPAC Name: 3-[8-(azepan-1-yl)-3-methyl-2,6-dioxopurin-7-yl]propanoic acid Traditional Name: 3-[8-(azepan-1-yl)-2,6-diketo-3-methyl-purin-7-yl]propionic acid Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4/c1-18-12-11(13(23)17-15(18)24)20(9-6-10(21)22)14(16-12)19-7-4-2-3-5-8-19/h2-9H2,1H3,(H,21,22)(H,17,23,24)