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

Systemtic Name: 8-[(dipropylamino)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[(dipropylamino)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(dipropylamino)methyl]-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[(dipropylamino)methyl]-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[(dipropylamino)methyl]-7-(4-fluorobenzyl)-3-methyl-xanthine Formula: C20H26FN5O2 MolecularWeight: 387.451143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

Isomeric SMILES

CCCN(CCC)CC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H26FN5O2/c1-4-10-25(11-5-2)13-16-22-18-17(19(27)23-20(28)24(18)3)26(16)12-14-6-8-15(21)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,23,27,28)