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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCNCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCNCC3

InChI

InChI=1S/C13H20N6O2/c1-16-11-10(12(20)17(2)13(16)21)19(9-15-11)8-7-18-5-3-14-4-6-18/h9,14H,3-8H2,1-2H3