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

Systemtic Name: ethyl 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C20H17N5O3S2/c1-2-28-19(27)16-14(12-6-4-3-5-7-12)10-29-18(16)24-15(26)11-30-20-23-9-13(8-21)17(22)25-20/h3-7,9-10H,2,11H2,1H3,(H,24,26)(H2,22,23,25)