7-(2-hydroxyethyl)-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCO

InChI

InChI=1S/C20H25N5O3/c1-23-17-16(18(27)22-20(23)28)25(11-12-26)19(21-17)24-9-7-15(8-10-24)13-14-5-3-2-4-6-14/h2-6,15,26H,7-13H2,1H3,(H,22,27,28)