propyl 3-[7-(2-cyanoethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]propanoate

Systemtic Name: propyl 3-[7-(2-cyanoethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: propyl 3-[7-(2-cyanoethyl)-3-methyl-2,6-dioxo-purin-8-yl]propanoate CAS Name: 3-[7-(2-cyanoethyl)-3-methyl-2,6-dioxo-8-purinyl]propanoic acid propyl ester IUPAC Name: propyl 3-[7-(2-cyanoethyl)-3-methyl-2,6-dioxopurin-8-yl]propanoate Traditional Name: 3-[7-(2-cyanoethyl)-2,6-diketo-3-methyl-purin-8-yl]propionic acid propyl ester Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC1=NC2=C(N1CCC#N)C(=O)NC(=O)N2C

Isomeric SMILES

CCCOC(=O)CCC1=NC2=C(N1CCC#N)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H19N5O4/c1-3-9-24-11(21)6-5-10-17-13-12(20(10)8-4-7-16)14(22)18-15(23)19(13)2/h3-6,8-9H2,1-2H3,(H,18,22,23)