3-methyl-8-(4-phenylpiperazin-1-yl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-8-(4-phenyl-1-piperazinyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H24N6O2/c1-13(2)25-15-16(22(3)19(27)21-17(15)26)20-18(25)24-11-9-23(10-12-24)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,21,26,27)