ethyl 4-[[4-chloranyl-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-chloranyl-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-chloro-6-(2-furylmethylamino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-chloro-6-(2-furanylmethylamino)-1,3,5-triazin-2-yl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-chloro-6-(2-furfurylamino)-s-triazin-2-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C16H21ClN6O3 MolecularWeight: 380.82934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC(=NC(=N2)Cl)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC(=NC(=N2)Cl)NCC3=CC=CO3

InChI

InChI=1S/C16H21ClN6O3/c1-2-25-16(24)23-7-5-11(6-8-23)19-15-21-13(17)20-14(22-15)18-10-12-4-3-9-26-12/h3-4,9,11H,2,5-8,10H2,1H3,(H2,18,19,20,21,22)