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

Systemtic Name: ethyl 3-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-1-yl]propanoate Openeye Name: ethyl 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanoate CAS Name: 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2,6-dioxo-3-propyl-7H-purin-1-yl)propanoate Traditional Name: 3-(2,6-diketo-3-propyl-7H-purin-1-yl)propionic acid ethyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC(=O)OCC)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC(=O)OCC)NC=N2

InChI

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