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

Systemtic Name: 8-(2-dimethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-(4-fluorobenzyl)-3-methyl-xanthine Formula: C17H21FN6O2 MolecularWeight: 360.386043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN6O2/c1-22(2)9-8-19-16-20-14-13(15(25)21-17(26)23(14)3)24(16)10-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3,(H,19,20)(H,21,25,26)