2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidin-4-yl]amine Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H13ClN4O2S/c14-8-3-7(4-9-12(8)20-2-1-19-9)6-21-13-17-10(15)5-11(16)18-13/h3-5H,1-2,6H2,(H4,15,16,17,18)