5-[3-[2-(3-chlorophenyl)ethylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[2-(3-chlorophenyl)ethylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[2-(3-chlorophenyl)ethylamino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[2-(3-chlorophenyl)ethylamino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C17H19ClN3O2S- MolecularWeight: 364.86966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClN3O2S/c1-11-14(16(23)21-17(20-11)24-2)6-7-15(22)19-9-8-12-4-3-5-13(18)10-12/h3-5,10H,6-9H2,1-2H3,(H,19,22)(H,20,21,23)/p-1