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

Systemtic Name: 4-[[[2-(1-oxidanylbutan-2-ylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[2-[1-(hydroxymethyl)propylamino]-9-isopropyl-purin-6-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[[9-isopropyl-2-(1-methylolpropylamino)purin-6-yl]amino]methyl]pyrocatechol Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC(=C(C=C3)O)O)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC(=C(C=C3)O)O)N=CN2C(C)C

InChI

InChI=1S/C19H26N6O3/c1-4-13(9-26)22-19-23-17(16-18(24-19)25(10-21-16)11(2)3)20-8-12-5-6-14(27)15(28)7-12/h5-7,10-11,13,26-28H,4,8-9H2,1-3H3,(H2,20,22,23,24)