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

Systemtic Name: (2S)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: (2S)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol CAS Name: (2S)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: (2S)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: (2S)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol Formula: C19H26N6O MolecularWeight: 354.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

Isomeric SMILES

CC[C@@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

InChI

InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m0/s1