[1-[bis(2-methylpropyl)amino]-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propan-2-yl] benzoate

Systemtic Name: [1-[bis(2-methylpropyl)amino]-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propan-2-yl] benzoate Openeye Name: [1-[(diisobutylamino)methyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl] benzoate CAS Name: benzoic acid [1-[bis(2-methylpropyl)amino]-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propan-2-yl] ester IUPAC Name: [1-[bis(2-methylpropyl)amino]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] benzoate Traditional Name: benzoic acid [1-[(diisobutylamino)methyl]-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl] ester Formula: C25H35N5O4 MolecularWeight: 469.5765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O4/c1-17(2)12-29(13-18(3)4)14-20(34-24(32)19-10-8-7-9-11-19)15-30-16-26-22-21(30)23(31)28(6)25(33)27(22)5/h7-11,16-18,20H,12-15H2,1-6H3