7-butyl-1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-1-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-1-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-3-propyl-xanthine Formula: C26H30FN5O3 MolecularWeight: 479.546503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H30FN5O3/c1-5-7-13-29-16-28-24-23(29)25(34)31(26(35)30(24)12-6-2)15-22(33)21-14-17(3)32(18(21)4)20-10-8-19(27)9-11-20/h8-11,14,16H,5-7,12-13,15H2,1-4H3