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

Systemtic Name: 3-[[6-chloranyl-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-oxidanyl-methoxy]propan-1-ol Openeye Name: 3-[[6-chloro-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-hydroxy-methoxy]propan-1-ol CAS Name: 3-[[6-chloro-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-9-purinyl]-hydroxymethoxy]-1-propanol IUPAC Name: 3-[[6-chloro-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-hydroxymethoxy]propan-1-ol Traditional Name: 3-[[6-chloro-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-hydroxy-methoxy]propan-1-ol Formula: C29H28ClN5O4 MolecularWeight: 546.01672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)Cl)N=CN5C(O)OCCCO

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)Cl)N=CN5C(O)OCCCO

InChI

InChI=1S/C29H28ClN5O4/c1-38-23-15-13-22(14-16-23)29(20-9-4-2-5-10-20,21-11-6-3-7-12-21)34-27-32-25(30)24-26(33-27)35(19-31-24)28(37)39-18-8-17-36/h2-7,9-16,19,28,36-37H,8,17-18H2,1H3,(H,32,33,34)