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

Systemtic Name: (4R)-2-methyl-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]hexan-3-ol Openeye Name: (4R)-4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]-2-methyl-hexan-3-ol CAS Name: (4R)-2-methyl-4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-3-hexanol IUPAC Name: (4R)-4-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-2-methylhexan-3-ol Traditional Name: (4R)-4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]-2-methyl-hexan-3-ol Formula: C22H32N6O MolecularWeight: 396.52908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m1/s1