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

Systemtic Name: ethyl 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C13H15N5O3S2 MolecularWeight: 353.4199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S2/c1-2-21-12(20)7-3-4-22-11(7)18-10(19)6-23-13-16-8(14)5-9(15)17-13/h3-5H,2,6H2,1H3,(H,18,19)(H4,14,15,16,17)