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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(4-phenethyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-(4-phenethylpiperazino)xanthine Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H30N6O2/c1-32-26-25(27(36)31-29(32)37)35(20-23-12-7-11-22-10-5-6-13-24(22)23)28(30-26)34-18-16-33(17-19-34)15-14-21-8-3-2-4-9-21/h2-13H,14-20H2,1H3,(H,31,36,37)