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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(isobutylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(isobutylamino)-3-methyl-xanthine Formula: C17H20FN5O2 MolecularWeight: 345.371403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H20FN5O2/c1-10(2)8-19-16-20-14-13(15(24)21-17(25)22(14)3)23(16)9-11-4-6-12(18)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,20)(H,21,24,25)