1,3-dimethyl-8-[oxidanyl(phenyl)methyl]-7-(2-piperidin-1-ylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[oxidanyl(phenyl)methyl]-7-(2-piperidin-1-ylethyl)purine-2,6-dione Openeye Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-[2-(1-piperidyl)ethyl]purine-2,6-dione CAS Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-[2-(1-piperidinyl)ethyl]purine-2,6-dione IUPAC Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-(2-piperidin-1-ylethyl)purine-2,6-dione Traditional Name: 8-[hydroxy(phenyl)methyl]-1,3-dimethyl-7-(2-piperidinoethyl)xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)O)CCN4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C(C3=CC=CC=C3)O)CCN4CCCCC4

InChI

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