8-(2-diethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-7-(4-fluorobenzyl)-3-methyl-xanthine Formula: C19H25FN6O2 MolecularWeight: 388.439203

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H25FN6O2/c1-4-25(5-2)11-10-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-6-8-14(20)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,21,22)(H,23,27,28)