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

Systemtic Name: 2-[4,7-dimethyl-1,3-bis(oxidanylidene)-6-prop-2-enyl-purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: 2-(6-allyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl)acetate CAS Name: 2-(4,7-dimethyl-1,3-dioxo-6-prop-2-enyl-2-purino[7,8-a]imidazolyl)acetate IUPAC Name: 2-(4,7-dimethyl-1,3-dioxo-6-prop-2-enylpurino[7,8-a]imidazol-2-yl)acetate Traditional Name: 2-(6-allyl-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-2-yl)acetate Formula: C14H14N5O4- MolecularWeight: 316.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CC(=O)[O-])C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CC(=O)[O-])C

InChI

InChI=1S/C14H15N5O4/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/h4,6H,1,5,7H2,2-3H3,(H,20,21)/p-1