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

Systemtic Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H17N4O3S2- MolecularWeight: 389.47188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S2/c1-3-4-10-7-14(22)20-16(18-10)25-9-15(23)21-17-19-12-6-5-11(24-2)8-13(12)26-17/h5-8H,3-4,9H2,1-2H3,(H,18,20,22)(H,19,21,23)/p-1