diethyl 2-[azanyl-[4-azanyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-5-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[azanyl-[4-azanyl-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-5-yl]methylidene]propanedioate Openeye Name: diethyl 2-[amino-[4-amino-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-5-yl]methylene]propanedioate CAS Name: 2-[amino-[4-amino-2-(methylthio)-6-(3-nitrophenyl)-5-pyrimidinyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[amino-[4-amino-2-methylsulfanyl-6-(3-nitrophenyl)pyrimidin-5-yl]methylidene]propanedioate Traditional Name: 2-[amino-[4-amino-2-(methylthio)-6-(3-nitrophenyl)pyrimidin-5-yl]methylene]malonic acid diethyl ester Formula: C19H21N5O6S MolecularWeight: 447.46494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=C(N=C(N=C1N)SC)C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(C1=C(N=C(N=C1N)SC)C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)OCC

InChI

InChI=1S/C19H21N5O6S/c1-4-29-17(25)13(18(26)30-5-2)14(20)12-15(22-19(31-3)23-16(12)21)10-7-6-8-11(9-10)24(27)28/h6-9H,4-5,20H2,1-3H3,(H2,21,22,23)