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

Systemtic Name: 9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]purin-6-amine Openeye Name: 9-[(3S,4R)-3,5-dibenzyloxy-4-methoxy-pentyl]purin-6-amine CAS Name: 9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]-6-purinamine IUPAC Name: 9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]purin-6-amine Traditional Name: [9-[(3S,4R)-3,5-dibenzoxy-4-methoxy-pentyl]purin-6-yl]amine Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

COC(COCC1=CC=CC=C1)C(CCN2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4

Isomeric SMILES

CO[C@H](COCC1=CC=CC=C1)[C@H](CCN2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-31-22(16-32-14-19-8-4-2-5-9-19)21(33-15-20-10-6-3-7-11-20)12-13-30-18-29-23-24(26)27-17-28-25(23)30/h2-11,17-18,21-22H,12-16H2,1H3,(H2,26,27,28)/t21-,22+/m0/s1