2-[[9-butyl-6-[(phenylmethyl)amino]purin-2-yl]amino]-2-methyl-propan-1-ol

Systemtic Name: 2-[[9-butyl-6-[(phenylmethyl)amino]purin-2-yl]amino]-2-methyl-propan-1-ol Openeye Name: 2-[[6-(benzylamino)-9-butyl-purin-2-yl]amino]-2-methyl-propan-1-ol CAS Name: 2-[[9-butyl-6-[(phenylmethyl)amino]-2-purinyl]amino]-2-methyl-1-propanol IUPAC Name: 2-[[6-(benzylamino)-9-butylpurin-2-yl]amino]-2-methylpropan-1-ol Traditional Name: 2-[[6-(benzylamino)-9-butyl-purin-2-yl]amino]-2-methyl-propan-1-ol Formula: C20H28N6O MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NC(C)(C)CO

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NC(C)(C)CO

InChI

InChI=1S/C20H28N6O/c1-4-5-11-26-14-22-16-17(21-12-15-9-7-6-8-10-15)23-19(24-18(16)26)25-20(2,3)13-27/h6-10,14,27H,4-5,11-13H2,1-3H3,(H2,21,23,24,25)