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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-(4-fluorobenzyl)-3-methyl-xanthine Formula: C16H16FN5O2 MolecularWeight: 329.328943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN5O2/c1-3-8-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-4-6-11(17)7-5-10/h3-7H,1,8-9H2,2H3,(H,18,19)(H,20,23,24)