2-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-4-morpholino-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[3-chloro-4-(4-morpholinyl)anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-4-morpholino-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H18ClN4O3S- MolecularWeight: 393.86782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)[O-]

InChI

InChI=1S/C17H19ClN4O3S/c1-11-8-15(23)21-17(19-11)26-10-16(24)20-12-2-3-14(13(18)9-12)22-4-6-25-7-5-22/h2-3,8-9H,4-7,10H2,1H3,(H,20,24)(H,19,21,23)/p-1