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

Systemtic Name: 3-[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]prop-2-yn-1-ol Openeye Name: 3-[6-(benzylamino)-9-isopropyl-purin-2-yl]prop-2-yn-1-ol CAS Name: 3-[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]-2-propyn-1-ol IUPAC Name: 3-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]prop-2-yn-1-ol Traditional Name: 3-[6-(benzylamino)-9-isopropyl-purin-2-yl]prop-2-yn-1-ol Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)C#CCO

InChI

InChI=1S/C18H19N5O/c1-13(2)23-12-20-16-17(19-11-14-7-4-3-5-8-14)21-15(9-6-10-24)22-18(16)23/h3-5,7-8,12-13,24H,10-11H2,1-2H3,(H,19,21,22)