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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(1-naphthylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(1-naphthylmethyl)piperazino]xanthine Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)CCOC

InChI

InChI=1S/C24H28N6O3/c1-27-21-20(22(31)26-24(27)32)30(14-15-33-2)23(25-21)29-12-10-28(11-13-29)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-9H,10-16H2,1-2H3,(H,26,31,32)