5-azanyl-3-ethyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxy-pyrimidin-4-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-ethyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxy-pyrimidin-4-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-ethyl-1-[2-methylsulfanyl-6-(1-naphthyloxy)pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-ethyl-1-[2-(methylthio)-6-(1-naphthalenyloxy)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-ethyl-1-(2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-ethyl-1-[2-(methylthio)-6-(1-naphthoxy)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)OC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N6OS/c1-3-16-15(12-22)20(23)27(26-16)18-11-19(25-21(24-18)29-2)28-17-10-6-8-13-7-4-5-9-14(13)17/h4-11H,3,23H2,1-2H3