1-[(2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)ethyl]pyrimidin-2-one

Systemtic Name: 1-[(2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)ethyl]pyrimidin-2-one Openeye Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]pyrimidin-2-one CAS Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]-2-pyrimidinone IUPAC Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]pyrimidin-2-one Traditional Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]pyrimidin-2-one Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CN3C=CC=NC3=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](CN3C=CC=NC3=O)N

InChI

InChI=1S/C13H13N3O3/c14-10(7-16-5-1-4-15-13(16)17)9-2-3-11-12(6-9)19-8-18-11/h1-6,10H,7-8,14H2/t10-/m1/s1