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

Systemtic Name: 6-azanyl-2-[(5-chloranyl-6-methyl-1,3-benzodioxol-4-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(5-chloro-6-methyl-1,3-benzodioxol-4-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(5-chloro-6-methyl-1,3-benzodioxol-4-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(5-chloro-6-methyl-1,3-benzodioxol-4-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(5-chloro-6-methyl-1,3-benzodioxol-4-yl)methylthio]-1H-pyrimidin-4-one Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)CSC3=NC(=O)C=C(N3)N)OCO2

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)CSC3=NC(=O)C=C(N3)N)OCO2

InChI

InChI=1S/C13H12ClN3O3S/c1-6-2-8-12(20-5-19-8)7(11(6)14)4-21-13-16-9(15)3-10(18)17-13/h2-3H,4-5H2,1H3,(H3,15,16,17,18)