2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N3O3S2/c1-4-5-13-9-17(23)22-19(21-13)27-11-14-10-26-18(20-14)12-6-7-15(24-2)16(8-12)25-3/h6-10H,4-5,11H2,1-3H3,(H,21,22,23)