2-[[4-(2-methoxyethylsulfonyl)phenyl]amino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[4-(2-methoxyethylsulfonyl)phenyl]amino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(2-methoxyethylsulfonyl)anilino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile CAS Name: 2-[4-(2-methoxyethylsulfonyl)anilino]-4-prop-2-ynoxy-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(2-methoxyethylsulfonyl)anilino]-4-prop-2-ynoxypyrimidine-5-carbonitrile Traditional Name: 2-[4-(2-methoxyethylsulfonyl)anilino]-4-propargyloxy-pyrimidine-5-carbonitrile Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

COCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

Isomeric SMILES

COCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

InChI

InChI=1S/C17H16N4O4S/c1-3-8-25-16-13(11-18)12-19-17(21-16)20-14-4-6-15(7-5-14)26(22,23)10-9-24-2/h1,4-7,12H,8-10H2,2H3,(H,19,20,21)