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

Systemtic Name: 5-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]-2-methanethioyl-4-pyridin-3-yl-thiophene-3-carbonitrile Openeye Name: 5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-methanethioyl-4-(3-pyridyl)thiophene-3-carbonitrile CAS Name: 5-[2-(3-aminoanilino)-4-pyrimidinyl]-2-methanethioyl-4-(3-pyridinyl)-3-thiophenecarbonitrile IUPAC Name: 5-[2-(3-aminoanilino)pyrimidin-4-yl]-2-methanethioyl-4-pyridin-3-ylthiophene-3-carbonitrile Traditional Name: 5-[2-(3-aminoanilino)pyrimidin-4-yl]-4-(3-pyridyl)-2-thioformyl-thiophene-3-carbonitrile Formula: C21H14N6S2 MolecularWeight: 414.50606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(C(=C(S3)C=S)C#N)C4=CN=CC=C4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(C(=C(S3)C=S)C#N)C4=CN=CC=C4)N

InChI

InChI=1S/C21H14N6S2/c22-10-16-18(12-28)29-20(19(16)13-3-2-7-24-11-13)17-6-8-25-21(27-17)26-15-5-1-4-14(23)9-15/h1-9,11-12H,23H2,(H,25,26,27)