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

Systemtic Name: propyl 3-[3-methyl-2,6-bis(oxidanylidene)-7-phenacyl-purin-8-yl]propanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-3-11-29-16(26)10-9-15-21-18-17(19(27)22-20(28)23(18)2)24(15)12-14(25)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,22,27,28)