6-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenethyl-9-propan-2-yl-purin-2-amine

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenethyl-9-propan-2-yl-purin-2-amine Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-9-isopropyl-N-phenethyl-purin-2-amine CAS Name: 6-[4-(4-fluorophenyl)-1-piperazinyl]-N-phenethyl-9-propan-2-yl-2-purinamine IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenethyl-9-propan-2-ylpurin-2-amine Traditional Name: [6-[4-(4-fluorophenyl)piperazino]-9-isopropyl-purin-2-yl]-phenethyl-amine Formula: C26H30FN7 MolecularWeight: 459.561703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2N3CCN(CC3)C4=CC=C(C=C4)F)NCCC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N3CCN(CC3)C4=CC=C(C=C4)F)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H30FN7/c1-19(2)34-18-29-23-24(33-16-14-32(15-17-33)22-10-8-21(27)9-11-22)30-26(31-25(23)34)28-13-12-20-6-4-3-5-7-20/h3-11,18-19H,12-17H2,1-2H3,(H,28,30,31)