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

Systemtic Name: 2-[(7-azanyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thio]-1H-pyrimidin-6-one IUPAC Name: 2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)thio]-1H-pyrimidin-6-one Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)SC3=NC=CC(=O)N3)N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)SC3=NC=CC(=O)N3)N

InChI

InChI=1S/C12H11N3O3S/c13-7-5-8-9(18-4-3-17-8)6-10(7)19-12-14-2-1-11(16)15-12/h1-2,5-6H,3-4,13H2,(H,14,15,16)