8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C25H31N6O2+ MolecularWeight: 447.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C

InChI

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