2-azanyl-5-[(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile Openeye Name: 2-amino-5-[(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile CAS Name: 2-amino-5-[[6-(methylthio)-4-pyrimido[5,4-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 2-amino-5-[(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzonitrile Traditional Name: 2-amino-5-[[6-(methylthio)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzonitrile Formula: C14H11N7S MolecularWeight: 309.34904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)N)C#N

Isomeric SMILES

CSC1=NC=C2C(=N1)C(=NC=N2)NC3=CC(=C(C=C3)N)C#N

InChI

InChI=1S/C14H11N7S/c1-22-14-17-6-11-12(21-14)13(19-7-18-11)20-9-2-3-10(16)8(4-9)5-15/h2-4,6-7H,16H2,1H3,(H,18,19,20)