3-methyl-8-(4-pentylpiperazin-1-yl)-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-pentylpiperazin-1-yl)-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-(4-pentylpiperazin-1-yl)-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-(4-pentyl-1-piperazinyl)-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-(4-pentylpiperazin-1-yl)-7-phenethylpurine-2,6-dione Traditional Name: 8-(4-amylpiperazino)-3-methyl-7-phenethyl-xanthine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCCN1CCN(CC1)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H32N6O2/c1-3-4-8-12-27-14-16-28(17-15-27)22-24-20-19(21(30)25-23(31)26(20)2)29(22)13-11-18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H,25,30,31)