2-[[8-(3-oxidanylpropylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[8-(3-oxidanylpropylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-(benzylamino)-8-(3-hydroxypropylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[8-(3-hydroxypropylamino)-6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(benzylamino)-8-(3-hydroxypropylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-(benzylamino)-8-(3-hydroxypropylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol Formula: C22H33N7O2 MolecularWeight: 427.54312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C(C)C)NCCCO

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C(C)C)NCCCO

InChI

InChI=1S/C22H33N7O2/c1-4-17(14-31)25-21-27-19(24-13-16-9-6-5-7-10-16)18-20(28-21)29(15(2)3)22(26-18)23-11-8-12-30/h5-7,9-10,15,17,30-31H,4,8,11-14H2,1-3H3,(H,23,26)(H2,24,25,27,28)