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

Systemtic Name: (3R)-2-methyl-3-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]pentan-2-ol Openeye Name: (3R)-3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]-2-methyl-pentan-2-ol CAS Name: (3R)-2-methyl-3-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-2-pentanol IUPAC Name: (3R)-3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-2-methylpentan-2-ol Traditional Name: (3R)-3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]-2-methyl-pentan-2-ol Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m1/s1