1,3-dimethyl-7-(1-piperazin-1-ylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(1-piperazin-1-ylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-piperazin-1-ylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[1-(1-piperazinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(1-piperazin-1-ylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-piperazinoethyl)xanthine Formula: C13H20N6O2 MolecularWeight: 292.3369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCNCC1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(N1CCNCC1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H20N6O2/c1-9(18-6-4-14-5-7-18)19-8-15-11-10(19)12(20)17(3)13(21)16(11)2/h8-9,14H,4-7H2,1-3H3