3-methoxy-4-[1-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]ethyl]benzoic acid

Systemtic Name: 3-methoxy-4-[1-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]ethyl]benzoic acid Openeye Name: 3-methoxy-4-[1-(3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)ethyl]benzoic acid CAS Name: 3-methoxy-4-[1-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]ethyl]benzoic acid IUPAC Name: 3-methoxy-4-[1-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)ethyl]benzoic acid Traditional Name: 4-[1-(2,6-diketo-3-methyl-8-piperazino-purin-7-yl)ethyl]-3-methoxy-benzoic acid Formula: C20H24N6O5 MolecularWeight: 428.44176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)OC)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)OC)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C20H24N6O5/c1-11(13-5-4-12(18(28)29)10-14(13)31-3)26-15-16(24(2)20(30)23-17(15)27)22-19(26)25-8-6-21-7-9-25/h4-5,10-11,21H,6-9H2,1-3H3,(H,28,29)(H,23,27,30)