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

Systemtic Name: 5-ethyl-2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-ethyl-2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-2-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-ethyl-2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H17N4O3S2- MolecularWeight: 389.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C

InChI

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