6-azanyl-2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate

Systemtic Name: 6-azanyl-2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate Openeye Name: 6-amino-2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate CAS Name: 6-amino-2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-4-pyrimidinolate IUPAC Name: 6-amino-2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate Traditional Name: 6-amino-2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]pyrimidin-4-olate Formula: C19H12ClN4O2S- MolecularWeight: 395.84218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)SC4=NC(=CC(=N4)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)SC4=NC(=CC(=N4)[O-])N

InChI

InChI=1S/C19H13ClN4O2S/c20-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(26)22-13)27-19-23-14(21)9-15(25)24-19/h1-9H,(H,22,26)(H3,21,23,24,25)/p-1