3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3CCC=CC3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C17H22N4O4/c1-19-11-18-14-13(19)15(22)21(17(24)20(14)2)9-6-10-25-16(23)12-7-4-3-5-8-12/h3-4,11-12H,5-10H2,1-2H3/t12-/m1/s1