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

Systemtic Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-dioxo-7-purinyl]acetate IUPAC Name: 2-[8-(cyclopentylamino)-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(cyclopentylamino)-2,6-diketo-3-methyl-purin-7-yl]acetate Formula: C13H16N5O4- MolecularWeight: 306.29724

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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)/p-1