ethyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4-(furan-2-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4-(furan-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-4-(2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-4-(2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H15N5O4S2/c1-2-26-17(25)14-11(12-4-3-5-27-12)8-28-16(14)22-13(24)9-29-18-21-7-10(6-19)15(20)23-18/h3-5,7-8H,2,9H2,1H3,(H,22,24)(H2,20,21,23)