1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-1-(2-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C17H18FN5O2 MolecularWeight: 343.355523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C

Isomeric SMILES

CN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C

InChI

InChI=1S/C17H18FN5O2/c1-4-9-19-16-20-14-13(21(16)2)15(24)23(17(25)22(14)3)10-11-7-5-6-8-12(11)18/h4-8H,1,9-10H2,2-3H3,(H,19,20)