2-[6-cyclopentyl-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate

Systemtic Name: 2-[6-cyclopentyl-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: 2-(6-cyclopentyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl)acetate CAS Name: 2-(6-cyclopentyl-4,7-dimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl)acetate IUPAC Name: 2-(6-cyclopentyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate Traditional Name: 2-(6-cyclopentyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-2-yl)acetate Formula: C16H18N5O4- MolecularWeight: 344.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC(=O)[O-])C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC(=O)[O-])C

InChI

InChI=1S/C16H19N5O4/c1-9-7-19-12-13(17-15(19)21(9)10-5-3-4-6-10)18(2)16(25)20(14(12)24)8-11(22)23/h7,10H,3-6,8H2,1-2H3,(H,22,23)/p-1