diethyl 2-[[6-azanyl-5-[(4-bromophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanedioate

Systemtic Name: diethyl 2-[[6-azanyl-5-[(4-bromophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanedioate CAS Name: 2-[[6-amino-5-[[(4-bromophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanedioate Traditional Name: 2-[[6-amino-5-[(4-bromobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]malonic acid diethyl ester Formula: C18H19BrN4O6S MolecularWeight: 499.33566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN4O6S/c1-3-28-16(26)12(17(27)29-4-2)30-18-22-13(20)11(15(25)23-18)21-14(24)9-5-7-10(19)8-6-9/h5-8,12H,3-4H2,1-2H3,(H,21,24)(H3,20,22,23,25)