6-chloranyl-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]purin-2-amine Openeye Name: 6-chloro-9-[(3S,4R)-3,5-dibenzyloxy-4-methoxy-pentyl]purin-2-amine CAS Name: 6-chloro-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]-2-purinamine IUPAC Name: 6-chloro-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]purin-2-amine Traditional Name: [6-chloro-9-[(3S,4R)-3,5-dibenzoxy-4-methoxy-pentyl]purin-2-yl]amine Formula: C25H28ClN5O3 MolecularWeight: 481.97452

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Descriptors Computed from Structure

Canonical SMILES:

COC(COCC1=CC=CC=C1)C(CCN2C=NC3=C2N=C(N=C3Cl)N)OCC4=CC=CC=C4

Isomeric SMILES

CO[C@H](COCC1=CC=CC=C1)[C@H](CCN2C=NC3=C2N=C(N=C3Cl)N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28ClN5O3/c1-32-21(16-33-14-18-8-4-2-5-9-18)20(34-15-19-10-6-3-7-11-19)12-13-31-17-28-22-23(26)29-25(27)30-24(22)31/h2-11,17,20-21H,12-16H2,1H3,(H2,27,29,30)/t20-,21+/m0/s1