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

Systemtic Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-[4-(1-naphthylmethyl)piperazino]-7-phenethyl-xanthine Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CCC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CCC6=CC=CC=C6

InChI

InChI=1S/C29H30N6O2/c1-32-26-25(27(36)31-29(32)37)35(15-14-21-8-3-2-4-9-21)28(30-26)34-18-16-33(17-19-34)20-23-12-7-11-22-10-5-6-13-24(22)23/h2-13H,14-20H2,1H3,(H,31,36,37)