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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanal Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanal CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanal IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanal Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionaldehyde Formula: C10H12N4O3 MolecularWeight: 236.22728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC=O

InChI

InChI=1S/C10H12N4O3/c1-12-8-7(9(16)13(2)10(12)17)14(6-11-8)4-3-5-15/h5-6H,3-4H2,1-2H3