4-azanyl-1-[2-[(3S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl]oxypyrimidin-4-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[2-[(3S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl]oxypyrimidin-4-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[2-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-3-yl]oxypyrimidin-4-yl]pyrimidin-2-one CAS Name: 4-amino-1-[2-[[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-thiolanyl]oxy]-4-pyrimidinyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[2-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-3-yl]oxypyrimidin-4-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[2-[(3S,4S,5R)-4-hydroxy-5-methylol-tetrahydrothiophen-3-yl]oxypyrimidin-4-yl]pyrimidin-2-one Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)CO)O)OC2=NC=CC(=N2)N3C=CC(=NC3=O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H](S1)CO)O)OC2=NC=CC(=N2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C13H15N5O4S/c14-9-2-4-18(13(21)16-9)10-1-3-15-12(17-10)22-7-6-23-8(5-19)11(7)20/h1-4,7-8,11,19-20H,5-6H2,(H2,14,16,21)/t7-,8-,11+/m1/s1