2-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]sulfanylethanol

Systemtic Name: 2-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]sulfanylethanol Openeye Name: 2-[6-(benzylamino)-9-isopropyl-purin-2-yl]sulfanylethanol CAS Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]thio]ethanol IUPAC Name: 2-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]sulfanylethanol Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]thio]ethanol Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)SCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)SCCO

InChI

InChI=1S/C17H21N5OS/c1-12(2)22-11-19-14-15(18-10-13-6-4-3-5-7-13)20-17(21-16(14)22)24-9-8-23/h3-7,11-12,23H,8-10H2,1-2H3,(H,18,20,21)