[3-(furan-2-ylmethyl)-8-methyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [3-(furan-2-ylmethyl)-8-methyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [3-(2-furylmethyl)-8-methyl-2,6-dioxo-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(2-furanylmethyl)-8-methyl-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [3-(furan-2-ylmethyl)-8-methyl-2,6-dioxopurin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(2-furfuryl)-2,6-diketo-8-methyl-purin-7-yl]methyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1COC(=O)C(C)(C)C)C(=O)NC(=O)N2CC3=CC=CO3

Isomeric SMILES

CC1=NC2=C(N1COC(=O)C(C)(C)C)C(=O)NC(=O)N2CC3=CC=CO3

InChI

InChI=1S/C17H20N4O5/c1-10-18-13-12(21(10)9-26-15(23)17(2,3)4)14(22)19-16(24)20(13)8-11-6-5-7-25-11/h5-7H,8-9H2,1-4H3,(H,19,22,24)