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

Systemtic Name: 3-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]propan-1-ol Openeye Name: 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol CAS Name: 3-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-propanol IUPAC Name: 3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol Traditional Name: 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol Formula: C18H24N6O MolecularWeight: 340.42276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)