7-butyl-8-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]purine-2,6-dione CAS Name: 7-butyl-8-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]xanthine Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCC(=CC4)C5=CC=C(C=C5)O

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCC(=CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C28H31N5O3/c1-2-3-15-32-24(19-31-16-13-22(14-17-31)21-9-11-23(34)12-10-21)29-26-25(32)27(35)30-28(36)33(26)18-20-7-5-4-6-8-20/h4-13,34H,2-3,14-19H2,1H3,(H,30,35,36)