6-azanyl-5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-(1,3-benzoxazol-2-ylthio)acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-quinone Formula: C22H20N4O4S MolecularWeight: 436.4836

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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=NC4=CC=CC=C4O3

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N4O4S/c1-2-25-20(28)18(19(23)26(22(25)29)12-14-8-4-3-5-9-14)16(27)13-31-21-24-15-10-6-7-11-17(15)30-21/h3-11H,2,12-13,23H2,1H3