4-[2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-methyl-amino]-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-methyl-amino]-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[1-hydroxy-2-[[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]-methyl-amino]ethyl]benzene-1,2-diol CAS Name: 4-[1-hydroxy-2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]-methylamino]ethyl]benzene-1,2-diol IUPAC Name: 4-[1-hydroxy-2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]-methylamino]ethyl]benzene-1,2-diol Traditional Name: 4-[1-hydroxy-2-[[9-isopropyl-6-(p-anisylamino)purin-2-yl]-methyl-amino]ethyl]pyrocatechol Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(C)CC(C4=CC(=C(C=C4)O)O)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(C)CC(C4=CC(=C(C=C4)O)O)O

InChI

InChI=1S/C25H30N6O4/c1-15(2)31-14-27-22-23(26-12-16-5-8-18(35-4)9-6-16)28-25(29-24(22)31)30(3)13-21(34)17-7-10-19(32)20(33)11-17/h5-11,14-15,21,32-34H,12-13H2,1-4H3,(H,26,28,29)