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

Systemtic Name: 6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(3-methoxy-4-propoxy-phenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxy-4-propoxyphenyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-6-(3-methoxy-4-propoxy-phenyl)-1H-pyrimidine-5-carbonitrile Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C22H21N3O3S/c1-3-11-28-18-10-9-16(12-19(18)27-2)20-17(13-23)21(26)25-22(24-20)29-14-15-7-5-4-6-8-15/h4-10,12H,3,11,14H2,1-2H3,(H,24,25,26)