3-[[6-iodanyl-8-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-2-(methylamino)purin-9-yl]-oxidanyl-methoxy]propan-1-ol

Systemtic Name: 3-[[6-iodanyl-8-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-2-(methylamino)purin-9-yl]-oxidanyl-methoxy]propan-1-ol Openeye Name: 3-[hydroxy-[6-iodo-8-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-2-(methylamino)purin-9-yl]methoxy]propan-1-ol CAS Name: 3-[hydroxy-[6-iodo-8-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-(methylamino)-9-purinyl]methoxy]-1-propanol IUPAC Name: 3-[hydroxy-[6-iodo-8-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-(methylamino)purin-9-yl]methoxy]propan-1-ol Traditional Name: 3-[hydroxy-[6-iodo-8-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-2-(methylamino)purin-9-yl]methoxy]propan-1-ol Formula: C30H31IN6O4 MolecularWeight: 666.50941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=N1)I)N=C(N2C(O)OCCCO)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CNC1=NC2=C(C(=N1)I)N=C(N2C(O)OCCCO)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H31IN6O4/c1-32-27-34-25(31)24-26(35-27)37(29(39)41-19-9-18-38)28(33-24)36-30(20-10-5-3-6-11-20,21-12-7-4-8-13-21)22-14-16-23(40-2)17-15-22/h3-8,10-17,29,38-39H,9,18-19H2,1-2H3,(H,33,36)(H,32,34,35)