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

Systemtic Name: 4-[6-(phenylmethyl)sulfonyl-9-propan-2-yl-purin-2-yl]but-3-yn-1-ol Openeye Name: 4-(6-benzylsulfonyl-9-isopropyl-purin-2-yl)but-3-yn-1-ol CAS Name: 4-[6-(phenylmethyl)sulfonyl-9-propan-2-yl-2-purinyl]-3-butyn-1-ol IUPAC Name: 4-(6-benzylsulfonyl-9-propan-2-ylpurin-2-yl)but-3-yn-1-ol Traditional Name: 4-(6-benzylsulfonyl-9-isopropyl-purin-2-yl)but-3-yn-1-ol Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2S(=O)(=O)CC3=CC=CC=C3)C#CCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2S(=O)(=O)CC3=CC=CC=C3)C#CCCO

InChI

InChI=1S/C19H20N4O3S/c1-14(2)23-13-20-17-18(23)21-16(10-6-7-11-24)22-19(17)27(25,26)12-15-8-4-3-5-9-15/h3-5,8-9,13-14,24H,7,11-12H2,1-2H3