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

Systemtic Name: 4-[[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-yl-purin-6-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-9-isopropyl-purin-6-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-9-propan-2-yl-6-purinyl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-9-propan-2-ylpurin-6-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[[9-isopropyl-2-(2-methylolpyrrolidino)purin-6-yl]amino]methyl]pyrocatechol Formula: C20H26N6O3 MolecularWeight: 398.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)O)O)N4CCCC4CO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)O)O)N4CCCC4CO

InChI

InChI=1S/C20H26N6O3/c1-12(2)26-11-22-17-18(21-9-13-5-6-15(28)16(29)8-13)23-20(24-19(17)26)25-7-3-4-14(25)10-27/h5-6,8,11-12,14,27-29H,3-4,7,9-10H2,1-2H3,(H,21,23,24)