4-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]but-3-yn-1-ol

Systemtic Name: 4-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]but-3-yn-1-ol Openeye Name: 4-[6-[(4-chlorophenyl)methylamino]-9-isopropyl-purin-2-yl]but-3-yn-1-ol CAS Name: 4-[6-[(4-chlorophenyl)methylamino]-9-propan-2-yl-2-purinyl]-3-butyn-1-ol IUPAC Name: 4-[6-[(4-chlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]but-3-yn-1-ol Traditional Name: 4-[6-[(4-chlorobenzyl)amino]-9-isopropyl-purin-2-yl]but-3-yn-1-ol Formula: C19H20ClN5O MolecularWeight: 369.848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Cl)C#CCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Cl)C#CCCO

InChI

InChI=1S/C19H20ClN5O/c1-13(2)25-12-22-17-18(21-11-14-6-8-15(20)9-7-14)23-16(24-19(17)25)5-3-4-10-26/h6-9,12-13,26H,4,10-11H2,1-2H3,(H,21,23,24)