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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(isopentylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(isoamylamino)-3-methyl-xanthine Formula: C18H22FN5O2 MolecularWeight: 359.397983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN5O2/c1-11(2)8-9-20-17-21-15-14(16(25)22-18(26)23(15)3)24(17)10-12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,20,21)(H,22,25,26)