ethyl 2-[bis[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]benzoate

Systemtic Name: ethyl 2-[bis[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]benzoate Openeye Name: ethyl 2-[bis(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoate CAS Name: 2-[bis(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[bis(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoate Traditional Name: 2-[bis(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]benzoic acid ethyl ester Formula: C23H23N9O6 MolecularWeight: 521.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N(C2=NC3=C(N2)C(=O)N(C(=O)N3C)C)C4=NC5=C(N4)C(=O)N(C(=O)N5C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N(C2=NC3=C(N2)C(=O)N(C(=O)N3C)C)C4=NC5=C(N4)C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C23H23N9O6/c1-6-38-19(35)11-9-7-8-10-12(11)32(20-24-13-15(26-20)28(2)22(36)30(4)17(13)33)21-25-14-16(27-21)29(3)23(37)31(5)18(14)34/h7-10H,6H2,1-5H3,(H,24,26)(H,25,27)