1,3-diethyl-7-[2-(methylamino)ethyl]purine-2,6-dione

Systemtic Name: 1,3-diethyl-7-[2-(methylamino)ethyl]purine-2,6-dione Openeye Name: 1,3-diethyl-7-[2-(methylamino)ethyl]purine-2,6-dione CAS Name: 1,3-diethyl-7-[2-(methylamino)ethyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-[2-(methylamino)ethyl]purine-2,6-dione Traditional Name: 1,3-diethyl-7-[2-(methylamino)ethyl]xanthine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CCNC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CCNC

InChI

InChI=1S/C12H19N5O2/c1-4-16-10-9(11(18)17(5-2)12(16)19)15(8-14-10)7-6-13-3/h8,13H,4-7H2,1-3H3