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

Systemtic Name: 2-chloranylprop-2-enyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-chloroallyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid 2-chloroallyl ester Formula: C12H13ClN4O4 MolecularWeight: 312.70902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=C)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=C)Cl

InChI

InChI=1S/C12H13ClN4O4/c1-7(13)5-21-8(18)4-17-6-14-10-9(17)11(19)16(3)12(20)15(10)2/h6H,1,4-5H2,2-3H3