6-azanyl-2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-pyrimidin-4-one Formula: C12H10ClN3O3S MolecularWeight: 311.7441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O3S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-15-10(14)3-11(17)16-12/h1-3H,4-5H2,(H3,14,15,16,17)