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

Systemtic Name: 4-[[[2-(2-azanylpropylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[2-(2-aminopropylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-(2-aminopropylamino)-9-propan-2-yl-6-purinyl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-(2-aminopropylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[[2-(2-aminopropylamino)-9-isopropyl-purin-6-yl]amino]methyl]pyrocatechol Formula: C18H25N7O2 MolecularWeight: 371.4368

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O2/c1-10(2)25-9-22-15-16(20-8-12-4-5-13(26)14(27)6-12)23-18(24-17(15)25)21-7-11(3)19/h4-6,9-11,26-27H,7-8,19H2,1-3H3,(H2,20,21,23,24)