(2S)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]methyl]butan-1-ol

Systemtic Name: (2S)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]methyl]butan-1-ol Openeye Name: (2S)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]methyl]butan-1-ol CAS Name: (2S)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]methyl]-1-butanol IUPAC Name: (2S)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]methyl]butan-1-ol Traditional Name: (2S)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]methyl]butan-1-ol Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C)CO

Isomeric SMILES

CC[C@@H](CC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C)CO

InChI

InChI=1S/C20H27N5O/c1-4-15(12-26)10-17-23-19(21-11-16-8-6-5-7-9-16)18-20(24-17)25(13-22-18)14(2)3/h5-9,13-15,26H,4,10-12H2,1-3H3,(H,21,23,24)/t15-/m0/s1