1,3-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propyl]-9H-purine-2,6,8-trione

Systemtic Name: 1,3-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propyl]-9H-purine-2,6,8-trione Openeye Name: 1,3-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propyl]-9H-purine-2,6,8-trione CAS Name: 1,3-dimethyl-7-[3-(4-phenyl-1-piperazinyl)propyl]-9H-purine-2,6,8-trione IUPAC Name: 1,3-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propyl]-9H-purine-2,6,8-trione Traditional Name: 1,3-dimethyl-7-[3-(4-phenylpiperazino)propyl]-9H-purine-2,6,8-trione Formula: C20H26N6O3 MolecularWeight: 398.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N6O3/c1-22-17-16(18(27)23(2)20(22)29)26(19(28)21-17)10-6-9-24-11-13-25(14-12-24)15-7-4-3-5-8-15/h3-5,7-8H,6,9-14H2,1-2H3,(H,21,28)