methyl 3-[[6-[(2-methoxycarbonylthiophen-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[6-[(2-methoxycarbonylthiophen-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[[6-[(2-methoxycarbonyl-3-thienyl)amino]-5-nitro-pyrimidin-4-yl]amino]thiophene-2-carboxylate CAS Name: 3-[[6-[(2-methoxycarbonyl-3-thiophenyl)amino]-5-nitro-4-pyrimidinyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[6-[(2-methoxycarbonylthiophen-3-yl)amino]-5-nitropyrimidin-4-yl]amino]thiophene-2-carboxylate Traditional Name: 3-[[6-[(2-carbomethoxy-3-thienyl)amino]-5-nitro-pyrimidin-4-yl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H13N5O6S2 MolecularWeight: 435.43432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC2=C(C(=NC=N2)NC3=C(SC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC2=C(C(=NC=N2)NC3=C(SC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S2/c1-26-15(22)11-8(3-5-28-11)19-13-10(21(24)25)14(18-7-17-13)20-9-4-6-29-12(9)16(23)27-2/h3-7H,1-2H3,(H2,17,18,19,20)