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

Systemtic Name: 7-(3-methylbutyl)-8-[(4-oxidanylpiperidin-1-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-[(4-hydroxy-1-piperidyl)methyl]-7-isopentyl-purine-2,6-dione CAS Name: 8-[(4-hydroxy-1-piperidinyl)methyl]-7-(3-methylbutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-[(4-hydroxypiperidin-1-yl)methyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-benzyl-8-[(4-hydroxypiperidino)methyl]-7-isoamyl-xanthine Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCC(CC4)O

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCC(CC4)O

InChI

InChI=1S/C23H31N5O3/c1-16(2)8-13-27-19(15-26-11-9-18(29)10-12-26)24-21-20(27)22(30)25-23(31)28(21)14-17-6-4-3-5-7-17/h3-7,16,18,29H,8-15H2,1-2H3,(H,25,30,31)