7-butyl-8-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]purine-2,6-dione CAS Name: 7-butyl-8-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[(3-fluoro-4-methoxy-benzyl)-methyl-amino]methyl]xanthine Formula: C26H30FN5O3 MolecularWeight: 479.546503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN(C)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN(C)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C26H30FN5O3/c1-4-5-13-31-22(17-30(2)15-19-11-12-21(35-3)20(27)14-19)28-24-23(31)25(33)29-26(34)32(24)16-18-9-7-6-8-10-18/h6-12,14H,4-5,13,15-17H2,1-3H3,(H,29,33,34)