N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-(phenylthio)propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2S/c1-3-7-15-13-19(27)23-20(21-15)25-17(12-14(2)24-25)22-18(26)10-11-28-16-8-5-4-6-9-16/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,22,26)(H,21,23,27)