5-[3-[(2,4-dichlorophenyl)methylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[(2,4-dichlorophenyl)methylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[(2,4-dichlorophenyl)methylamino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[(2,4-dichlorophenyl)methylamino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[(2,4-dichlorophenyl)methylamino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[(2,4-dichlorobenzyl)amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C16H16Cl2N3O2S- MolecularWeight: 385.28814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O2S/c1-9-12(15(23)21-16(20-9)24-2)5-6-14(22)19-8-10-3-4-11(17)7-13(10)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,22)(H,20,21,23)/p-1