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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C)CCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

InChI

InChI=1S/C26H32N6O2/c1-18(2)11-12-30-13-15-31(16-14-30)25-27-23-22(24(33)28-26(34)29(23)3)32(25)17-20-9-6-8-19-7-4-5-10-21(19)20/h4-10,18H,11-17H2,1-3H3,(H,28,33,34)