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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-(4-phenylpiperazino)xanthine Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H26N6O2/c1-30-24-23(25(34)29-27(30)35)33(18-20-10-7-9-19-8-5-6-13-22(19)20)26(28-24)32-16-14-31(15-17-32)21-11-3-2-4-12-21/h2-13H,14-18H2,1H3,(H,29,34,35)