7-ethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-(4-methylpiperidino)ethyl]xanthine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC(CC4)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCC(CC4)C

InChI

InChI=1S/C22H27N5O3/c1-3-24-15-23-20-19(24)21(29)27(14-18(28)25-11-9-16(2)10-12-25)22(30)26(20)13-17-7-5-4-6-8-17/h4-8,15-16H,3,9-14H2,1-2H3