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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

InChI

InChI=1S/C26H32N6O2/c1-3-4-7-13-30-14-16-31(17-15-30)25-27-23-22(24(33)28-26(34)29(23)2)32(25)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)