ethyl 2-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethanoate Openeye Name: ethyl 2-(1-methyl-2,6-dioxo-3-propyl-purin-7-yl)acetate CAS Name: 2-(1-methyl-2,6-dioxo-3-propyl-7-purinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1-methyl-3-propyl-purin-7-yl)acetic acid ethyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC

InChI

InChI=1S/C13H18N4O4/c1-4-6-17-11-10(12(19)15(3)13(17)20)16(8-14-11)7-9(18)21-5-2/h8H,4-7H2,1-3H3