4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol CAS Name: 4-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 4-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 4-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol Formula: C19H26N6O MolecularWeight: 354.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCCCO

InChI

InChI=1S/C19H26N6O/c1-14(2)25-13-22-16-17(21-12-15-8-4-3-5-9-15)23-19(24-18(16)25)20-10-6-7-11-26/h3-5,8-9,13-14,26H,6-7,10-12H2,1-2H3,(H2,20,21,23,24)