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

Systemtic Name: ethyl 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: ethyl 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-propyl-thiophene-3-carboxylate CAS Name: 4-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]amino]methylamino]-5-propyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-propylthiophene-3-carboxylate Traditional Name: 4-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]methylamino]-5-propyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H25N5O5S MolecularWeight: 423.4866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CS1)C(=O)OCC)NCNC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCCC1=C(C(=CS1)C(=O)OCC)NCNC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C18H25N5O5S/c1-5-7-12-15(11(9-29-12)16(24)28-6-2)19-10-20-18(25)23-17-21-13(26-3)8-14(22-17)27-4/h8-9,19H,5-7,10H2,1-4H3,(H2,20,21,22,23,25)