N-[4-[[6-[[4-(3-fluorophenyl)phenyl]methylamino]-7H-purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[6-[[4-(3-fluorophenyl)phenyl]methylamino]-7H-purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[6-[[4-(3-fluorophenyl)phenyl]methylamino]-7H-purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[6-[[4-(3-fluorophenyl)phenyl]methylamino]-7H-purin-2-yl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[6-[[4-(3-fluorophenyl)phenyl]methylamino]-7H-purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[6-[[4-(3-fluorophenyl)benzyl]amino]-7H-purin-2-yl]amino]cyclohexyl]acetamide Formula: C26H28FN7O MolecularWeight: 473.545223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC(=CC=C5)F)NC=N3

Isomeric SMILES

CC(=O)NC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C5=CC(=CC=C5)F)NC=N3

InChI

InChI=1S/C26H28FN7O/c1-16(35)31-21-9-11-22(12-10-21)32-26-33-24(23-25(34-26)30-15-29-23)28-14-17-5-7-18(8-6-17)19-3-2-4-20(27)13-19/h2-8,13,15,21-22H,9-12,14H2,1H3,(H,31,35)(H3,28,29,30,32,33,34)