2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[4-[(4-methoxyanilino)-oxomethyl]phenyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[4-[(4-methoxyphenyl)carbamoyl]benzyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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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)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-3-4-18-13-20(26)25-22(24-18)29-14-15-5-7-16(8-6-15)21(27)23-17-9-11-19(28-2)12-10-17/h5-13H,3-4,14H2,1-2H3,(H,23,27)(H,24,25,26)/p-1