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

Systemtic Name: 8-(4-butylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(4-butylpiperazin-1-yl)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(4-butyl-1-piperazinyl)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(4-butylpiperazin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(4-butylpiperazino)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C

InChI

InChI=1S/C25H30N6O2/c1-3-4-12-29-13-15-30(16-14-29)24-26-22-21(23(32)27-25(33)28(22)2)31(24)17-19-10-7-9-18-8-5-6-11-20(18)19/h5-11H,3-4,12-17H2,1-2H3,(H,27,32,33)