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

Systemtic Name: ethyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21N5O3S2 MolecularWeight: 443.54244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S2/c1-3-28-19(27)17-16(12-7-5-4-6-8-12)11(2)30-18(17)25-15(26)10-29-20-23-13(21)9-14(22)24-20/h4-9H,3,10H2,1-2H3,(H,25,26)(H4,21,22,23,24)