2-[8-(3-oxidanylcycloheptyl)-2,6-bis(oxidanylidene)-3-propyl-7H-purin-1-yl]ethanoic acid

Systemtic Name: 2-[8-(3-oxidanylcycloheptyl)-2,6-bis(oxidanylidene)-3-propyl-7H-purin-1-yl]ethanoic acid Openeye Name: 2-[8-(3-hydroxycycloheptyl)-2,6-dioxo-3-propyl-7H-purin-1-yl]acetic acid CAS Name: 2-[8-(3-hydroxycycloheptyl)-2,6-dioxo-3-propyl-7H-purin-1-yl]acetic acid IUPAC Name: 2-[8-(3-hydroxycycloheptyl)-2,6-dioxo-3-propyl-7H-purin-1-yl]acetic acid Traditional Name: 2-[8-(3-hydroxycycloheptyl)-2,6-diketo-3-propyl-7H-purin-1-yl]acetic acid Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC(=O)O)NC(=N2)C3CCCCC(C3)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC(=O)O)NC(=N2)C3CCCCC(C3)O

InChI

InChI=1S/C17H24N4O5/c1-2-7-20-15-13(16(25)21(17(20)26)9-12(23)24)18-14(19-15)10-5-3-4-6-11(22)8-10/h10-11,22H,2-9H2,1H3,(H,18,19)(H,23,24)