4-[2-[(9-propan-2-ylpurin-6-yl)amino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[(9-propan-2-ylpurin-6-yl)amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[(9-isopropylpurin-6-yl)amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[(9-propan-2-yl-6-purinyl)amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[(9-propan-2-ylpurin-6-yl)amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[(9-isopropylpurin-6-yl)amino]ethyl]pyrocatechol Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=CN=C2NCCC3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=CN=C2NCCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H19N5O2/c1-10(2)21-9-20-14-15(18-8-19-16(14)21)17-6-5-11-3-4-12(22)13(23)7-11/h3-4,7-10,22-23H,5-6H2,1-2H3,(H,17,18,19)