1-[2-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]ethynyl]cyclopentan-1-ol

Systemtic Name: 1-[2-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]ethynyl]cyclopentan-1-ol Openeye Name: 1-[2-[6-(benzylamino)-9-isopropyl-purin-2-yl]ethynyl]cyclopentanol CAS Name: 1-[2-[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]ethynyl]-1-cyclopentanol IUPAC Name: 1-[2-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]ethynyl]cyclopentan-1-ol Traditional Name: 1-[2-[6-(benzylamino)-9-isopropyl-purin-2-yl]ethynyl]cyclopentanol Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CC4(CCCC4)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CC4(CCCC4)O

InChI

InChI=1S/C22H25N5O/c1-16(2)27-15-24-19-20(23-14-17-8-4-3-5-9-17)25-18(26-21(19)27)10-13-22(28)11-6-7-12-22/h3-5,8-9,15-16,28H,6-7,11-12,14H2,1-2H3,(H,23,25,26)