3-[(6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[(6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile Openeye Name: 3-[(6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile CAS Name: 3-[(6-methylsulfonyl-4-pyrimido[5,4-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 3-[(6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile Traditional Name: 3-[(6-mesylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile Formula: C14H10N6O2S MolecularWeight: 326.3332

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=NC=C2C(=N1)C(=NC=N2)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C14H10N6O2S/c1-23(21,22)14-16-7-11-12(20-14)13(18-8-17-11)19-10-4-2-3-9(5-10)6-15/h2-5,7-8H,1H3,(H,17,18,19)