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

Systemtic Name: ethyl 6-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 6-methyl-4-oxo-3-[2-oxo-2-[3-(phenylthio)propylamino]ethyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-oxo-3-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[3-(phenylthio)propylamino]ethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC(=O)NCCCSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=O)N(C=N2)CC(=O)NCCCSC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O5S/c1-3-28-21(27)17-14(2)29-19-18(17)20(26)24(13-23-19)12-16(25)22-10-7-11-30-15-8-5-4-6-9-15/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,22,25)