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

Systemtic Name: 6-azanyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-3-ethyl-pyrimidine-2,4-quinone Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H25N3O5S/c1-2-26-23(29)21(22(25)27(24(26)30)14-16-7-4-3-5-8-16)18(28)15-33-17-9-10-19-20(13-17)32-12-6-11-31-19/h3-5,7-10,13H,2,6,11-12,14-15,25H2,1H3