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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=CN=C2N(C)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=CN=C2N(C)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H19N5O2/c1-10(2)21-9-19-14-15(17-8-18-16(14)21)20(3)7-11-4-5-12(22)13(23)6-11/h4-6,8-10,22-23H,7H2,1-3H3