2-[8-(cyclohexylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-[8-(cyclohexylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetate IUPAC Name: 2-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(cyclohexylamino)-2,6-diketo-1,3-dimethyl-purin-7-yl]acetate Formula: C15H20N5O4- MolecularWeight: 334.3504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CC(=O)[O-]

InChI

InChI=1S/C15H21N5O4/c1-18-12-11(13(23)19(2)15(18)24)20(8-10(21)22)14(17-12)16-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H,16,17)(H,21,22)/p-1