3-oxidanylidenebutan-2-yl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: (1-methyl-2-oxo-propyl) 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid (2-keto-1-methyl-propyl) ester Formula: C14H18N4O5 MolecularWeight: 322.31652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C(=O)C)OC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H18N4O5/c1-8(19)9(2)23-10(20)5-6-18-7-15-12-11(18)13(21)17(4)14(22)16(12)3/h7,9H,5-6H2,1-4H3