4-azanyl-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-fluoranyl-pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-fluoranyl-pyrimidin-2-one Openeye Name: 4-amino-1-[3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]-5-fluoro-pyrimidin-2-one CAS Name: 4-amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-thiolanyl]-5-fluoro-2-pyrimidinone IUPAC Name: 4-amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-fluoropyrimidin-2-one Traditional Name: 4-amino-1-[3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]-5-fluoro-pyrimidin-2-one Formula: C30H30FN3O4S MolecularWeight: 547.640303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(S2)N3C=C(C(=NC3=O)N)F)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(S2)N3C=C(C(=NC3=O)N)F)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30FN3O4S/c31-24-16-34(30(35)33-28(24)32)29-27(38-19-23-14-8-3-9-15-23)26(37-18-22-12-6-2-7-13-22)25(39-29)20-36-17-21-10-4-1-5-11-21/h1-16,25-27,29H,17-20H2,(H2,32,33,35)