3-methyl-2-[6-[(2-oxidanyl-1-phenyl-ethyl)amino]-9-propan-2-yl-purin-2-yl]butan-1-ol

Systemtic Name: 3-methyl-2-[6-[(2-oxidanyl-1-phenyl-ethyl)amino]-9-propan-2-yl-purin-2-yl]butan-1-ol Openeye Name: 2-[6-[(2-hydroxy-1-phenyl-ethyl)amino]-9-isopropyl-purin-2-yl]-3-methyl-butan-1-ol CAS Name: 2-[6-[(2-hydroxy-1-phenylethyl)amino]-9-propan-2-yl-2-purinyl]-3-methyl-1-butanol IUPAC Name: 2-[6-[(2-hydroxy-1-phenylethyl)amino]-9-propan-2-ylpurin-2-yl]-3-methylbutan-1-ol Traditional Name: 2-[6-[(2-hydroxy-1-phenyl-ethyl)amino]-9-isopropyl-purin-2-yl]-3-methyl-butan-1-ol Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)C1=NC2=C(C(=N1)NC(CO)C3=CC=CC=C3)N=CN2C(C)C

Isomeric SMILES

CC(C)C(CO)C1=NC2=C(C(=N1)NC(CO)C3=CC=CC=C3)N=CN2C(C)C

InChI

InChI=1S/C21H29N5O2/c1-13(2)16(10-27)19-24-20(18-21(25-19)26(12-22-18)14(3)4)23-17(11-28)15-8-6-5-7-9-15/h5-9,12-14,16-17,27-28H,10-11H2,1-4H3,(H,23,24,25)