6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C17H19N3O5S/c1-19-15(18)14(16(22)20(2)17(19)23)11(21)9-26-10-4-5-12-13(8-10)25-7-3-6-24-12/h4-5,8H,3,6-7,9,18H2,1-2H3