4-azanyl-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]pyrimidine-5-carbonitrile Formula: C13H9ClN4O2S MolecularWeight: 320.75416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSC3=NC=C(C(=N3)N)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSC3=NC=C(C(=N3)N)C#N)Cl

InChI

InChI=1S/C13H9ClN4O2S/c14-9-1-7(2-10-11(9)20-6-19-10)5-21-13-17-4-8(3-15)12(16)18-13/h1-2,4H,5-6H2,(H2,16,17,18)