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

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C30H32N6O2 MolecularWeight: 508.61408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H32N6O2/c1-32-28-27(29(37)33(2)30(32)38)36(20-24-13-8-12-23-11-6-7-14-25(23)24)26(31-28)21-35-17-15-34(16-18-35)19-22-9-4-3-5-10-22/h3-14H,15-21H2,1-2H3