1,3-dimethyl-7-[2-(4-phenylpiperazin-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-phenylpiperazin-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-phenylpiperazin-1-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-phenyl-1-piperazinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-phenylpiperazin-1-yl)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(4-phenylpiperazino)ethyl]xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-21-17-16(18(26)22(2)19(21)27)25(14-20-17)13-10-23-8-11-24(12-9-23)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3