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

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-(4-phenylpiperazino)xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N6O2/c1-14(2)13-26-16-17(23(3)20(28)22-18(16)27)21-19(26)25-11-9-24(10-12-25)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,22,27,28)