2-azanyl-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3S,4R)-3,5-dibenzyloxy-4-methoxy-pentyl]-3H-purin-6-one CAS Name: 2-amino-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(3S,4R)-4-methoxy-3,5-bis(phenylmethoxy)pentyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3S,4R)-3,5-dibenzoxy-4-methoxy-pentyl]-3H-purin-6-one Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

COC(COCC1=CC=CC=C1)C(CCN2C=NC3=C2NC(=NC3=O)N)OCC4=CC=CC=C4

Isomeric SMILES

CO[C@H](COCC1=CC=CC=C1)[C@H](CCN2C=NC3=C2NC(=NC3=O)N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O4/c1-32-21(16-33-14-18-8-4-2-5-9-18)20(34-15-19-10-6-3-7-11-19)12-13-30-17-27-22-23(30)28-25(26)29-24(22)31/h2-11,17,20-21H,12-16H2,1H3,(H3,26,28,29,31)/t20-,21+/m0/s1