2-[8-(cyclohexylamino)-3-methyl-2,6-bis(oxidanylidene)-5H-purin-7-ium-7-yl]ethanoic acid

Systemtic Name: 2-[8-(cyclohexylamino)-3-methyl-2,6-bis(oxidanylidene)-5H-purin-7-ium-7-yl]ethanoic acid Openeye Name: 2-[8-(cyclohexylamino)-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl]acetic acid CAS Name: 2-[8-(cyclohexylamino)-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl]acetic acid IUPAC Name: 2-[8-(cyclohexylamino)-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl]acetic acid Traditional Name: 2-[8-(cyclohexylamino)-2,6-diketo-3-methyl-5H-purin-7-ium-7-yl]acetic acid Formula: C14H20N5O4+ MolecularWeight: 322.3397

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC(=O)O)NC3CCCCC3

Isomeric SMILES

CN1C2=NC(=[N+](C2C(=O)NC1=O)CC(=O)O)NC3CCCCC3

InChI

InChI=1S/C14H19N5O4/c1-18-11-10(12(22)17-14(18)23)19(7-9(20)21)13(16-11)15-8-5-3-2-4-6-8/h8,10H,2-7H2,1H3,(H2,17,20,21,22,23)/p+1