6-(3-methoxy-4-propoxy-phenyl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-methoxy-4-propoxy-phenyl)-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-methoxy-4-propoxy-phenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxy-4-propoxyphenyl)-2-(methylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxy-4-propoxyphenyl)-2-methylsulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxy-4-propoxy-phenyl)-2-(methylthio)-1H-pyrimidine-5-carbonitrile Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SC)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SC)C#N)OC

InChI

InChI=1S/C16H17N3O3S/c1-4-7-22-12-6-5-10(8-13(12)21-2)14-11(9-17)15(20)19-16(18-14)23-3/h5-6,8H,4,7H2,1-3H3,(H,18,19,20)