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

Systemtic Name: ethyl 2-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-1-yl]ethanoate Openeye Name: ethyl 2-(2,6-dioxo-3-propyl-7H-purin-1-yl)acetate CAS Name: 2-(2,6-dioxo-3-propyl-7H-purin-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2,6-dioxo-3-propyl-7H-purin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3-propyl-7H-purin-1-yl)acetic acid ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4/c1-3-5-15-10-9(13-7-14-10)11(18)16(12(15)19)6-8(17)20-4-2/h7H,3-6H2,1-2H3,(H,13,14)