7-butyl-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-[(3-fluoro-4-methoxy-phenyl)methyl]purine-2,6-dione CAS Name: 7-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-(3-fluoro-4-methoxy-benzyl)xanthine Formula: C24H25FN4O3 MolecularWeight: 436.478703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4O3/c1-3-4-12-27-16-26-22-21(27)23(30)29(15-18-10-11-20(32-2)19(25)13-18)24(31)28(22)14-17-8-6-5-7-9-17/h5-11,13,16H,3-4,12,14-15H2,1-2H3