5-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

Systemtic Name: 5-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile Openeye Name: 5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-(3-pyridyl)thiophene-3-carbonitrile CAS Name: 5-[2-(3-aminoanilino)-4-pyrimidinyl]-2-(methylthio)-4-(3-pyridinyl)-3-thiophenecarbonitrile IUPAC Name: 5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-pyridin-3-ylthiophene-3-carbonitrile Traditional Name: 5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-(methylthio)-4-(3-pyridyl)thiophene-3-carbonitrile Formula: C21H16N6S2 MolecularWeight: 416.52194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC(=C3)N)C4=CN=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC(=C3)N)C4=CN=CC=C4)C#N

InChI

InChI=1S/C21H16N6S2/c1-28-20-16(11-22)18(13-4-3-8-24-12-13)19(29-20)17-7-9-25-21(27-17)26-15-6-2-5-14(23)10-15/h2-10,12H,23H2,1H3,(H,25,26,27)