4-azanyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N)OC

InChI

InChI=1S/C15H14N4O3S/c1-21-12-4-3-9(5-13(12)22-2)11(20)8-23-15-18-7-10(6-16)14(17)19-15/h3-5,7H,8H2,1-2H3,(H2,17,18,19)