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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-ethylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-ethylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(ethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-ethylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(ethylthio)pyrimidine-5-carbonitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CCSC1=NC(=NC(=C1C#N)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C14H12N4O2S/c1-2-21-13-9(6-15)12(17-14(16)18-13)8-3-4-10-11(5-8)20-7-19-10/h3-5H,2,7H2,1H3,(H2,16,17,18)