6-azanyl-2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C13H11N3O4S/c14-11-4-12(18)16-13(15-11)21-5-8(17)7-1-2-9-10(3-7)20-6-19-9/h1-4H,5-6H2,(H3,14,15,16,18)