2-[(4-morpholin-4-ylcarbonylphenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-morpholin-4-ylcarbonylphenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[4-(morpholine-4-carbonyl)phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[4-[4-morpholinyl(oxo)methyl]phenyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[4-(morpholine-4-carbonyl)phenyl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[4-(morpholine-4-carbonyl)benzyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H22N3O3S- MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCOCC3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCOCC3)[O-]

InChI

InChI=1S/C19H23N3O3S/c1-2-3-16-12-17(23)21-19(20-16)26-13-14-4-6-15(7-5-14)18(24)22-8-10-25-11-9-22/h4-7,12H,2-3,8-11,13H2,1H3,(H,20,21,23)/p-1