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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=C1NCNC(=O)NC2=NC(=CC(=N2)OC)OC)C(C)C

Isomeric SMILES

CCOC(=O)C1=CSC(=C1NCNC(=O)NC2=NC(=CC(=N2)OC)OC)C(C)C

InChI

InChI=1S/C18H25N5O5S/c1-6-28-16(24)11-8-29-15(10(2)3)14(11)19-9-20-18(25)23-17-21-12(26-4)7-13(22-17)27-5/h7-8,10,19H,6,9H2,1-5H3,(H2,20,21,22,23,25)