[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 3,6-dimethyl-4-oxo-5-furo[2,3-d]pyrimidinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-3,6-dimethyl-furo[2,3-d]pyrimidine-5-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S/c1-13-16(17-18(28-13)22-12-23(2)19(17)25)20(26)27-11-15(24)21-9-6-10-29-14-7-4-3-5-8-14/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,21,24)