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

Systemtic Name: ethyl 3-[3-methyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]propanoate Openeye Name: ethyl 3-(3-methyl-2,6-dioxo-7-phenacyl-purin-8-yl)propanoate CAS Name: 3-(3-methyl-2,6-dioxo-7-phenacyl-8-purinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-methyl-2,6-dioxo-7-phenacylpurin-8-yl)propanoate Traditional Name: 3-(2,6-diketo-3-methyl-7-phenacyl-purin-8-yl)propionic acid ethyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CCC1=NC2=C(N1CC(=O)C3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H20N4O5/c1-3-28-15(25)10-9-14-20-17-16(18(26)21-19(27)22(17)2)23(14)11-13(24)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,21,26,27)