ethyl 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-2-thioxo-thiazole-5-carboxylate CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]-3-phenyl-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-2-thioxo-4-thiazoline-5-carboxylic acid ethyl ester Formula: C16H14N6O4S2 MolecularWeight: 418.45016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C16H14N6O4S2/c1-2-26-15(23)11-14(20-13-10(22(24)25)12(17)18-8-19-13)21(16(27)28-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,17,18,19,20)