4-azanyl-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-thioxo-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-amino-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-thioxo-6-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C14H14N4O3S MolecularWeight: 318.35096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=S)N2)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=S)N2)N)C#N

InChI

InChI=1S/C14H14N4O3S/c1-19-9-4-7(5-10(20-2)12(9)21-3)11-8(6-15)13(16)18-14(22)17-11/h4-5H,1-3H3,(H3,16,17,18,22)