2-[(6-azanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(6-azanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-methyl-1H-pyrimidin-4-one Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC3=C(C=C2N)OCCO3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC3=C(C=C2N)OCCO3

InChI

InChI=1S/C14H15N3O3S/c1-8-4-13(18)17-14(16-8)21-7-9-5-11-12(6-10(9)15)20-3-2-19-11/h4-6H,2-3,7,15H2,1H3,(H,16,17,18)