4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-phenyl-6-(piperonylamino)pyrimidine-5-carbonitrile Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCC2=CC3=C(C=C2)OCO3)C#N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCC2=CC3=C(C=C2)OCO3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S/c1-27-20-23-18(14-5-3-2-4-6-14)15(10-21)19(24-20)22-11-13-7-8-16-17(9-13)26-12-25-16/h2-9H,11-12H2,1H3,(H,22,23,24)