[1-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclopentyl]methanol

Systemtic Name: [1-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclopentyl]methanol Openeye Name: [1-[[6-[(4-bromophenyl)methylamino]-9-isopropyl-purin-2-yl]amino]cyclopentyl]methanol CAS Name: [1-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclopentyl]methanol IUPAC Name: [1-[[6-[(4-bromophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclopentyl]methanol Traditional Name: [1-[[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]amino]cyclopentyl]methanol Formula: C21H27BrN6O MolecularWeight: 459.38268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4(CCCC4)CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4(CCCC4)CO

InChI

InChI=1S/C21H27BrN6O/c1-14(2)28-13-24-17-18(23-11-15-5-7-16(22)8-6-15)25-20(26-19(17)28)27-21(12-29)9-3-4-10-21/h5-8,13-14,29H,3-4,9-12H2,1-2H3,(H2,23,25,26,27)