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

Systemtic Name: ethyl 5-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C15H15N5O3S2 MolecularWeight: 377.4413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C

InChI

InChI=1S/C15H15N5O3S2/c1-3-23-14(22)12-8(2)4-11(25-12)19-10(21)7-24-15-18-6-9(5-16)13(17)20-15/h4,6H,3,7H2,1-2H3,(H,19,21)(H2,17,18,20)