2-[[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[4-[(3-chloro-4-methyl-phenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[4-[(3-chloro-4-methylanilino)-oxomethyl]phenyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[4-[(3-chloro-4-methyl-phenyl)carbamoyl]benzyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H21ClN3O2S- MolecularWeight: 426.93904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)Cl)[O-]

InChI

InChI=1S/C22H22ClN3O2S/c1-3-4-17-12-20(27)26-22(25-17)29-13-15-6-8-16(9-7-15)21(28)24-18-10-5-14(2)19(23)11-18/h5-12H,3-4,13H2,1-2H3,(H,24,28)(H,25,26,27)/p-1