N,N-diethylethanamine; 5-[furan-2-ylmethylsulfanyl-(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: N,N-diethylethanamine; 5-[furan-2-ylmethylsulfanyl-(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione Openeye Name: N,N-diethylethanamine; 5-[2-furylmethylsulfanyl-(4-methoxyphenyl)methyl]hexahydropyrimidine-2,4,6-trione CAS Name: N,N-diethylethanamine; 5-[(2-furanylmethylthio)-(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione IUPAC Name: N,N-diethylethanamine; 5-[furan-2-ylmethylsulfanyl-(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2-furfurylthio)-(4-methoxyphenyl)methyl]barbituric acid; triethylamine Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.COC1=CC=C(C=C1)C(C2C(=O)NC(=O)NC2=O)SCC3=CC=CO3

Isomeric SMILES

CCN(CC)CC.COC1=CC=C(C=C1)C(C2C(=O)NC(=O)NC2=O)SCC3=CC=CO3

InChI

InChI=1S/C17H16N2O5S.C6H15N/c1-23-11-6-4-10(5-7-11)14(25-9-12-3-2-8-24-12)13-15(20)18-17(22)19-16(13)21;1-4-7(5-2)6-3/h2-8,13-14H,9H2,1H3,(H2,18,19,20,21,22);4-6H2,1-3H3