2-dimethylaminoethyl 2-[1,7-dimethyl-2,6-bis(oxidanylidene)purin-3-yl]ethanoate

Systemtic Name: 2-dimethylaminoethyl 2-[1,7-dimethyl-2,6-bis(oxidanylidene)purin-3-yl]ethanoate Openeye Name: 2-dimethylaminoethyl 2-(1,7-dimethyl-2,6-dioxo-purin-3-yl)acetate CAS Name: 2-(1,7-dimethyl-2,6-dioxo-3-purinyl)acetic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 2-(1,7-dimethyl-2,6-dioxopurin-3-yl)acetate Traditional Name: 2-(2,6-diketo-1,7-dimethyl-purin-3-yl)acetic acid 2-dimethylaminoethyl ester Formula: C13H19N5O4 MolecularWeight: 309.32106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC(=O)OCCN(C)C)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC(=O)OCCN(C)C)C

InChI

InChI=1S/C13H19N5O4/c1-15(2)5-6-22-9(19)7-18-11-10(16(3)8-14-11)12(20)17(4)13(18)21/h8H,5-7H2,1-4H3