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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-24-18-17(19(27)23-21(24)28)26(12-13-29-2)20(22-18)25-10-8-16(9-11-25)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,23,27,28)