2-azanyl-4-(1,3-benzodioxol-5-yl)-6-methylsulfonyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-methylsulfonyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methylsulfonyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methylsulfonyl-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methylsulfonylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-mesyl-pyrimidine-5-carbonitrile Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CS(=O)(=O)C1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C13H10N4O4S/c1-22(18,19)12-8(5-14)11(16-13(15)17-12)7-2-3-9-10(4-7)21-6-20-9/h2-4H,6H2,1H3,(H2,15,16,17)