(4S)-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]hexan-3-ol

Systemtic Name: (4S)-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]hexan-3-ol Openeye Name: (4S)-4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]hexan-3-ol CAS Name: (4S)-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-3-hexanol IUPAC Name: (4S)-4-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]hexan-3-ol Traditional Name: (4S)-4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]hexan-3-ol Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m0/s1