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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-[(4-phenyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-[(4-phenylpiperazino)methyl]xanthine Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H28N6O2/c1-31-26-25(27(35)30-28(31)36)34(18-21-10-7-9-20-8-5-6-13-23(20)21)24(29-26)19-32-14-16-33(17-15-32)22-11-3-2-4-12-22/h2-13H,14-19H2,1H3,(H,30,35,36)