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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[(4-phenyl-1-piperazin-1-iumyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]xanthine Formula: C29H31N6O2+ MolecularWeight: 495.59544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H30N6O2/c1-31-27-26(28(36)32(2)29(31)37)35(19-22-11-8-10-21-9-6-7-14-24(21)22)25(30-27)20-33-15-17-34(18-16-33)23-12-4-3-5-13-23/h3-14H,15-20H2,1-2H3/p+1