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

Systemtic Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-8-yl]amino]butan-1-ol Openeye Name: 2-[[6-(benzylamino)-9-isopropyl-purin-8-yl]amino]butan-1-ol CAS Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-8-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(benzylamino)-9-propan-2-ylpurin-8-yl]amino]butan-1-ol Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-purin-8-yl]amino]butan-1-ol Formula: C19H26N6O MolecularWeight: 354.44934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(N1C(C)C)N=CN=C2NCC3=CC=CC=C3

Isomeric SMILES

CCC(CO)NC1=NC2=C(N1C(C)C)N=CN=C2NCC3=CC=CC=C3

InChI

InChI=1S/C19H26N6O/c1-4-15(11-26)23-19-24-16-17(20-10-14-8-6-5-7-9-14)21-12-22-18(16)25(19)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H,23,24)(H,20,21,22)