7-(2-ethoxyethyl)-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-[4-(4-fluorobenzyl)piperazino]-3-methyl-xanthine Formula: C21H27FN6O3 MolecularWeight: 430.475883

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=C(C=C4)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=C(C=C4)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27FN6O3/c1-3-31-13-12-28-17-18(25(2)21(30)24-19(17)29)23-20(28)27-10-8-26(9-11-27)14-15-4-6-16(22)7-5-15/h4-7H,3,8-14H2,1-2H3,(H,24,29,30)