3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[4-(1-naphthylmethyl)piperazino]xanthine Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H32N6O2/c1-3-4-7-13-32-22-23(29(2)26(34)28-24(22)33)27-25(32)31-16-14-30(15-17-31)18-20-11-8-10-19-9-5-6-12-21(19)20/h5-6,8-12H,3-4,7,13-18H2,1-2H3,(H,28,33,34)