methyl 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 4-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]amino]methylamino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CS1)C(=O)OC)NCNC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCC1=C(C(=CS1)C(=O)OC)NCNC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C16H21N5O5S/c1-5-10-13(9(7-27-10)14(22)26-4)17-8-18-16(23)21-15-19-11(24-2)6-12(20-15)25-3/h6-7,17H,5,8H2,1-4H3,(H2,18,19,20,21,23)