6-methoxy-N-[(4-methoxyphenyl)-diphenyl-methyl]-9-[(1R,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]purin-2-amine

Systemtic Name: 6-methoxy-N-[(4-methoxyphenyl)-diphenyl-methyl]-9-[(1R,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]purin-2-amine Openeye Name: 6-methoxy-N-[(4-methoxyphenyl)-diphenyl-methyl]-9-[(1R,4S)-4-tetrahydropyran-2-yloxycyclopent-2-en-1-yl]purin-2-amine CAS Name: 6-methoxy-N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1R,4S)-4-(2-oxanyloxy)-1-cyclopent-2-enyl]-2-purinamine IUPAC Name: 6-methoxy-N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1R,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]purin-2-amine Traditional Name: [(4-methoxyphenyl)-diphenyl-methyl]-[6-methoxy-9-[(1R,4S)-4-tetrahydropyran-2-yloxycyclopent-2-en-1-yl]purin-2-yl]amine Formula: C36H37N5O4 MolecularWeight: 603.71008

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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)OC7CCCCO7

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)OC7CCCCO7

InChI

InChI=1S/C36H37N5O4/c1-42-29-19-16-27(17-20-29)36(25-11-5-3-6-12-25,26-13-7-4-8-14-26)40-35-38-33-32(34(39-35)43-2)37-24-41(33)28-18-21-30(23-28)45-31-15-9-10-22-44-31/h3-8,11-14,16-21,24,28,30-31H,9-10,15,22-23H2,1-2H3,(H,38,39,40)/t28-,30+,31?/m0/s1