diethyl 2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate

Systemtic Name: diethyl 2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate Openeye Name: diethyl 2-(4-amino-2-oxo-pyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate CAS Name: 2-(4-amino-2-oxo-1-pyrimidinyl)-3-(2-hydroxyethylthio)butanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-amino-2-oxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate Traditional Name: 2-(4-amino-2-keto-pyrimidin-1-yl)-3-(2-hydroxyethylthio)succinic acid diethyl ester Formula: C14H21N3O6S MolecularWeight: 359.39804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=NC1=O)N

Isomeric SMILES

CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=NC1=O)N

InChI

InChI=1S/C14H21N3O6S/c1-3-22-12(19)10(17-6-5-9(15)16-14(17)21)11(24-8-7-18)13(20)23-4-2/h5-6,10-11,18H,3-4,7-8H2,1-2H3,(H2,15,16,21)