2-[3,7-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[3,7-dimethyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]ethyl ester IUPAC Name: 2-(3,7-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(2,6-diketo-3,7-dimethyl-8-piperazino-purin-1-yl)ethyl ester Formula: C23H30N6O7 MolecularWeight: 502.5203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCOC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C

Isomeric SMILES

CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCOC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C

InChI

InChI=1S/C23H30N6O7/c1-26-17-19(25-22(26)28-8-6-24-7-9-28)27(2)23(32)29(20(17)30)10-11-36-21(31)14-12-15(33-3)18(35-5)16(13-14)34-4/h12-13,24H,6-11H2,1-5H3