6-azanyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-phenyl-1H-pyrimidin-4-one Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H19N5O4S/c1-28-14-9-8-13(10-15(14)29-2)19-23-16(30-26-19)11-31-21-24-18(22)17(20(27)25-21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H3,22,24,25,27)