2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H19N4O3S2- MolecularWeight: 403.49846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OCC)[O-]

InChI

InChI=1S/C18H20N4O3S2/c1-3-5-11-8-15(23)21-17(19-11)26-10-16(24)22-18-20-13-7-6-12(25-4-2)9-14(13)27-18/h6-9H,3-5,10H2,1-2H3,(H,19,21,23)(H,20,22,24)/p-1