2-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-4-morpholino-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[3-chloro-4-(4-morpholinyl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-4-morpholino-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H16ClN4O3S- MolecularWeight: 379.84124

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=CC(=N3)[O-])Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=CC(=N3)[O-])Cl

InChI

InChI=1S/C16H17ClN4O3S/c17-12-9-11(1-2-13(12)21-5-7-24-8-6-21)19-15(23)10-25-16-18-4-3-14(22)20-16/h1-4,9H,5-8,10H2,(H,19,23)(H,18,20,22)/p-1