3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O6/c1-22-11-21-17-16(22)18(26)24(20(28)23(17)2)8-5-9-29-19(27)15-10-13(25)12-6-3-4-7-14(12)30-15/h3-4,6-7,10-11H,5,8-9H2,1-2H3