methyl 3-[(3,6-diethyl-5-iodanyl-pyrazin-2-yl)amino]-4-ethoxy-pyrrolidine-1-carboxylate

Systemtic Name: methyl 3-[(3,6-diethyl-5-iodanyl-pyrazin-2-yl)amino]-4-ethoxy-pyrrolidine-1-carboxylate Openeye Name: methyl 3-[(3,6-diethyl-5-iodo-pyrazin-2-yl)amino]-4-ethoxy-pyrrolidine-1-carboxylate CAS Name: 3-[(3,6-diethyl-5-iodo-2-pyrazinyl)amino]-4-ethoxy-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3,6-diethyl-5-iodopyrazin-2-yl)amino]-4-ethoxypyrrolidine-1-carboxylate Traditional Name: 3-[(3,6-diethyl-5-iodo-pyrazin-2-yl)amino]-4-ethoxy-pyrrolidine-1-carboxylic acid methyl ester Formula: C16H25IN4O3 MolecularWeight: 448.29917

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=N1)I)CC)NC2CN(CC2OCC)C(=O)OC

Isomeric SMILES

CCC1=C(N=C(C(=N1)I)CC)NC2CN(CC2OCC)C(=O)OC

InChI

InChI=1S/C16H25IN4O3/c1-5-10-14(17)18-11(6-2)15(19-10)20-12-8-21(16(22)23-4)9-13(12)24-7-3/h12-13H,5-9H2,1-4H3,(H,19,20)