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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazino]methyl]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C27H26N6O4 MolecularWeight: 498.53314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H26N6O4/c1-30-24-23(25(34)29-27(30)36)33(16-19-8-4-7-18-6-2-3-9-20(18)19)22(28-24)17-31-11-13-32(14-12-31)26(35)21-10-5-15-37-21/h2-10,15H,11-14,16-17H2,1H3,(H,29,34,36)