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

Systemtic Name: 2-[4,7-dimethyl-1,3-bis(oxidanylidene)-6-propyl-purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: 2-(4,7-dimethyl-1,3-dioxo-6-propyl-purino[7,8-a]imidazol-2-yl)acetate CAS Name: 2-(4,7-dimethyl-1,3-dioxo-6-propyl-2-purino[7,8-a]imidazolyl)acetate IUPAC Name: 2-(4,7-dimethyl-1,3-dioxo-6-propylpurino[7,8-a]imidazol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4,7-dimethyl-6-propyl-purin[7,8-a]imidazol-2-yl)acetate Formula: C14H16N5O4- MolecularWeight: 318.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)[O-])C

Isomeric SMILES

CCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)[O-])C

InChI

InChI=1S/C14H17N5O4/c1-4-5-17-8(2)6-18-10-11(15-13(17)18)16(3)14(23)19(12(10)22)7-9(20)21/h6H,4-5,7H2,1-3H3,(H,20,21)/p-1