(1S,4R)-4-[6-methoxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclopent-2-en-1-ol

Systemtic Name: (1S,4R)-4-[6-methoxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclopent-2-en-1-ol Openeye Name: (1S,4R)-4-[6-methoxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclopent-2-en-1-ol CAS Name: (1S,4R)-4-[6-methoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-9-purinyl]-1-cyclopent-2-enol IUPAC Name: (1S,4R)-4-[6-methoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]cyclopent-2-en-1-ol Traditional Name: (1S,4R)-4-[6-methoxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclopent-2-en-1-ol Formula: C31H29N5O3 MolecularWeight: 519.59366

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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)OC)N=CN5C6CC(C=C6)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OC)N=CN5[C@@H]6C[C@@H](C=C6)O

InChI

InChI=1S/C31H29N5O3/c1-38-26-17-13-23(14-18-26)31(21-9-5-3-6-10-21,22-11-7-4-8-12-22)35-30-33-28-27(29(34-30)39-2)32-20-36(28)24-15-16-25(37)19-24/h3-18,20,24-25,37H,19H2,1-2H3,(H,33,34,35)/t24-,25+/m0/s1