methyl 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]methyl]benzoate

Systemtic Name: methyl 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]methyl]benzoate Openeye Name: methyl 3-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)methyl]benzoate CAS Name: 3-[[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)methyl]benzoate Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)methyl]benzoic acid methyl ester Formula: C20H24N6O4 MolecularWeight: 412.44236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C20H24N6O4/c1-23-16-15(17(27)24(2)20(23)29)26(19(22-16)25-9-7-21-8-10-25)12-13-5-4-6-14(11-13)18(28)30-3/h4-6,11,21H,7-10,12H2,1-3H3