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

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-1-methyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-1-methyl-pyrimidine-2,4-quinone Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C16H17N3O5S/c1-19-14(17)13(15(21)18-16(19)22)10(20)8-25-9-3-4-11-12(7-9)24-6-2-5-23-11/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,21,22)