5-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]pentan-1-ol

Systemtic Name: 5-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]pentan-1-ol Openeye Name: 5-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]pentan-1-ol CAS Name: 5-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-pentanol IUPAC Name: 5-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol Traditional Name: 5-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]pentan-1-ol Formula: C20H28N6O MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O/c1-15(2)26-14-23-17-18(22-13-16-9-5-3-6-10-16)24-20(25-19(17)26)21-11-7-4-8-12-27/h3,5-6,9-10,14-15,27H,4,7-8,11-13H2,1-2H3,(H2,21,22,24,25)