2-azanyl-4-(phenylmethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(phenylmethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-benzylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(phenylmethylthio)-6-(3,4,5-trimethoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-benzylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(benzylthio)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=N2)N)SCC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=N2)N)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N4O3S/c1-26-16-9-14(10-17(27-2)19(16)28-3)18-15(11-22)20(25-21(23)24-18)29-12-13-7-5-4-6-8-13/h4-10H,12H2,1-3H3,(H2,23,24,25)