8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethyl-xanthine Formula: C12H19N5O4 MolecularWeight: 297.31036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N(CCO)CCO)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N(CCO)CCO)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H19N5O4/c1-14-8-9(15(2)12(21)16(3)10(8)20)13-11(14)17(4-6-18)5-7-19/h18-19H,4-7H2,1-3H3