6-azanyl-1-cyclopropyl-5-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetyl]pyrimidine-2,4-quinone Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H23N5O5S/c1-2-26-14(12-3-6-16-17(9-12)32-8-7-31-16)10-24-22(26)33-11-15(28)18-19(23)27(13-4-5-13)21(30)25-20(18)29/h3,6,9-10,13H,2,4-5,7-8,11,23H2,1H3,(H,25,29,30)