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diethyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanedioate

diethyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanedioate

Systemtic Name:diethyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanedioate
Openeye Name:diethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanedioate
CAS Name:2-[(4,6-diamino-2-pyrimidinyl)thio]propanedioic acid diethyl ester
IUPAC Name:diethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanedioate
Traditional Name:2-[(4,6-diaminopyrimidin-2-yl)thio]malonic acid diethyl ester
Formula: C11H16N4O4S
MolecularWeight: 300.33414
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=CC(=N1)N)N


Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=CC(=N1)N)N


InChI

InChI=1S/C11H16N4O4S/c1-3-18-9(16)8(10(17)19-4-2)20-11-14-6(12)5-7(13)15-11/h5,8H,3-4H2,1-2H3,(H4,12,13,14,15)


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