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

Systemtic Name: 7-hexyl-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-[4-(1-naphthylmethyl)piperazino]xanthine Formula: C27H34N6O2 MolecularWeight: 474.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

InChI

InChI=1S/C27H34N6O2/c1-3-4-5-8-14-33-23-24(30(2)27(35)29-25(23)34)28-26(33)32-17-15-31(16-18-32)19-21-12-9-11-20-10-6-7-13-22(20)21/h6-7,9-13H,3-5,8,14-19H2,1-2H3,(H,29,34,35)