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

Systemtic Name: ethyl 2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC2=NC(=CC(=N2)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC2=NC(=CC(=N2)N)C

InChI

InChI=1S/C17H21N5O4S2/c1-5-26-16(25)12-9(3)13(14(24)19-4)28-15(12)22-11(23)7-27-17-20-8(2)6-10(18)21-17/h6H,5,7H2,1-4H3,(H,19,24)(H,22,23)(H2,18,20,21)