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

Systemtic Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-dioxo-purin-7-yl]acetic acid CAS Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-dioxo-7-purinyl]acetic acid IUPAC Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-dioxopurin-7-yl]acetic acid Traditional Name: 2-[8-(cyclopentylamino)-2,6-diketo-3-methyl-purin-7-yl]acetic acid Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCC3)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCC3)CC(=O)O

InChI

InChI=1S/C13H17N5O4/c1-17-10-9(11(21)16-13(17)22)18(6-8(19)20)12(15-10)14-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,14,15)(H,19,20)(H,16,21,22)