7-butyl-3-methyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-7-butyl-3-methyl-purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-7-butyl-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-7-butyl-3-methyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O2/c1-3-4-10-27-17-18(24(2)21(29)23-19(17)28)22-20(27)26-13-11-25(12-14-26)15-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,23,28,29)