4-azanyl-6-(4-methoxyphenyl)-2-phenacylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-(4-methoxyphenyl)-2-phenacylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-(4-methoxyphenyl)-2-phenacylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-6-(4-methoxyphenyl)-2-(phenacylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-(4-methoxyphenyl)-2-phenacylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-6-(4-methoxyphenyl)-2-(phenacylthio)pyrimidine-5-carbonitrile Formula: C20H16N4O2S MolecularWeight: 376.43164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C20H16N4O2S/c1-26-15-9-7-14(8-10-15)18-16(11-21)19(22)24-20(23-18)27-12-17(25)13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H2,22,23,24)