2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-3-4-11-5-16(23)21-18(19-11)27-8-17(24)20-13-7-15-14(25-9-26-15)6-12(13)10(2)22/h5-7H,3-4,8-9H2,1-2H3,(H,20,24)(H,19,21,23)/p-1