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

Systemtic Name: ethyl 3-[1-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]propanoate Openeye Name: ethyl 3-(1-methyl-2,6-dioxo-3-propyl-purin-7-yl)propanoate CAS Name: 3-(1-methyl-2,6-dioxo-3-propyl-7-purinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1-methyl-3-propyl-purin-7-yl)propionic acid ethyl ester Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-4-7-18-12-11(13(20)16(3)14(18)21)17(9-15-12)8-6-10(19)22-5-2/h9H,4-8H2,1-3H3