3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methoxy-2-oxidanyl-benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6/c1-20-10-19-15-13(20)16(24)22(18(26)21(15)2)8-5-9-28-17(25)11-6-4-7-12(27-3)14(11)23/h4,6-7,10,23H,5,8-9H2,1-3H3