ethyl 3-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)N)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)N)C

InChI

InChI=1S/C20H20N4O3S2/c1-3-27-19(26)18-14(10-15(29-18)13-7-5-4-6-8-13)23-17(25)11-28-20-22-12(2)9-16(21)24-20/h4-10H,3,11H2,1-2H3,(H,23,25)(H2,21,22,24)