methyl 4-[7-butan-2-yl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate

Systemtic Name: methyl 4-[7-butan-2-yl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Openeye Name: methyl 4-(1,3-dimethyl-2,6-dioxo-7-sec-butyl-purin-8-yl)oxybenzoate CAS Name: 4-[(7-butan-2-yl-1,3-dimethyl-2,6-dioxo-8-purinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 4-(7-butan-2-yl-1,3-dimethyl-2,6-dioxopurin-8-yl)oxybenzoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7-sec-butyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O5/c1-6-11(2)23-14-15(21(3)19(26)22(4)16(14)24)20-18(23)28-13-9-7-12(8-10-13)17(25)27-5/h7-11H,6H2,1-5H3