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

Systemtic Name: 4-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]but-3-yn-1-ol Openeye Name: 4-[6-(benzylamino)-9-isopropyl-purin-2-yl]but-3-yn-1-ol CAS Name: 4-[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]-3-butyn-1-ol IUPAC Name: 4-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]but-3-yn-1-ol Traditional Name: 4-[6-(benzylamino)-9-isopropyl-purin-2-yl]but-3-yn-1-ol Formula: C19H21N5O MolecularWeight: 335.40294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O/c1-14(2)24-13-21-17-18(20-12-15-8-4-3-5-9-15)22-16(23-19(17)24)10-6-7-11-25/h3-5,8-9,13-14,25H,7,11-12H2,1-2H3,(H,20,22,23)