4-azanyl-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]-5-bromanyl-pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]-5-bromanyl-pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]-5-bromo-pyrimidin-2-one CAS Name: 4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)-2-thietanyl]-5-bromo-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]-5-bromopyrimidin-2-one Traditional Name: 4-amino-5-bromo-1-[(2R,3R,4S)-3,4-dimethylolthietan-2-yl]pyrimidin-2-one Formula: C9H12BrN3O3S MolecularWeight: 322.17888

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1C2C(C(S2)CO)CO)N)Br

Isomeric SMILES

C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@H](S2)CO)CO)N)Br

InChI

InChI=1S/C9H12BrN3O3S/c10-5-1-13(9(16)12-7(5)11)8-4(2-14)6(3-15)17-8/h1,4,6,8,14-15H,2-3H2,(H2,11,12,16)/t4-,6-,8-/m1/s1