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

Systemtic Name: 3-[[8-bromanyl-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]propan-1-ol Openeye Name: 3-[[6-(benzylamino)-8-bromo-9-isopropyl-purin-2-yl]amino]propan-1-ol CAS Name: 3-[[8-bromo-6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-propanol IUPAC Name: 3-[[6-(benzylamino)-8-bromo-9-propan-2-ylpurin-2-yl]amino]propan-1-ol Traditional Name: 3-[[6-(benzylamino)-8-bromo-9-isopropyl-purin-2-yl]amino]propan-1-ol Formula: C18H23BrN6O MolecularWeight: 419.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC(=N2)NCCCO)NCC3=CC=CC=C3)N=C1Br

Isomeric SMILES

CC(C)N1C2=C(C(=NC(=N2)NCCCO)NCC3=CC=CC=C3)N=C1Br

InChI

InChI=1S/C18H23BrN6O/c1-12(2)25-16-14(22-17(25)19)15(21-11-13-7-4-3-5-8-13)23-18(24-16)20-9-6-10-26/h3-5,7-8,12,26H,6,9-11H2,1-2H3,(H2,20,21,23,24)