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

Systemtic Name: ethyl 3-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]propanoate Openeye Name: ethyl 3-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)propanoate Traditional Name: 3-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)propionic acid ethyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H20N4O4/c1-3-26-14(23)10-9-13-19-16-15(17(24)20-18(25)21(16)2)22(13)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,20,24,25)