[5-[2,6-bis(azanyl)purin-9-yl]-4-fluoranyl-3-phenylmethoxy-thiolan-2-yl]methyl ethanoate

Systemtic Name: [5-[2,6-bis(azanyl)purin-9-yl]-4-fluoranyl-3-phenylmethoxy-thiolan-2-yl]methyl ethanoate Openeye Name: [3-benzyloxy-5-(2,6-diaminopurin-9-yl)-4-fluoro-tetrahydrothiophen-2-yl]methyl acetate CAS Name: acetic acid [5-(2,6-diamino-9-purinyl)-4-fluoro-3-phenylmethoxy-2-thiolanyl]methyl ester IUPAC Name: [5-(2,6-diaminopurin-9-yl)-4-fluoro-3-phenylmethoxythiolan-2-yl]methyl acetate Traditional Name: acetic acid [3-benzoxy-5-(2,6-diaminopurin-9-yl)-4-fluoro-tetrahydrothiophen-2-yl]methyl ester Formula: C19H21FN6O3S MolecularWeight: 432.471843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(S1)N2C=NC3=C2N=C(N=C3N)N)F)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1C(C(C(S1)N2C=NC3=C2N=C(N=C3N)N)F)OCC4=CC=CC=C4

InChI

InChI=1S/C19H21FN6O3S/c1-10(27)28-8-12-15(29-7-11-5-3-2-4-6-11)13(20)18(30-12)26-9-23-14-16(21)24-19(22)25-17(14)26/h2-6,9,12-13,15,18H,7-8H2,1H3,(H4,21,22,24,25)