3-methyl-7-(3-methylbutyl)-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(4-phenethyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(4-phenethylpiperazino)xanthine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCN(CC3)CCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCN(CC3)CCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H32N6O2/c1-17(2)9-12-29-19-20(26(3)23(31)25-21(19)30)24-22(29)28-15-13-27(14-16-28)11-10-18-7-5-4-6-8-18/h4-8,17H,9-16H2,1-3H3,(H,25,30,31)