3-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]propanoate

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]propanoate Openeye Name: 3-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)propanoate IUPAC Name: 3-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)propanoate Traditional Name: 3-(7-allyl-2,6-diketo-3-methyl-purin-8-yl)propionate Formula: C12H13N4O4- MolecularWeight: 277.25602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)[O-])CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)[O-])CC=C

InChI

InChI=1S/C12H14N4O4/c1-3-6-16-7(4-5-8(17)18)13-10-9(16)11(19)14-12(20)15(10)2/h3H,1,4-6H2,2H3,(H,17,18)(H,14,19,20)/p-1