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

Systemtic Name: 4-[[[2-(2-oxidanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[2-(2-hydroxypropylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-(2-hydroxypropylamino)-9-propan-2-yl-6-purinyl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-(2-hydroxypropylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[[2-(2-hydroxypropylamino)-9-isopropyl-purin-6-yl]amino]methyl]pyrocatechol Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)O)O)NCC(C)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)O)O)NCC(C)O

InChI

InChI=1S/C18H24N6O3/c1-10(2)24-9-21-15-16(19-8-12-4-5-13(26)14(27)6-12)22-18(23-17(15)24)20-7-11(3)25/h4-6,9-11,25-27H,7-8H2,1-3H3,(H2,19,20,22,23)