methyl 2-[[4-chloranyl-6-(4-phenylbutan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanoate

Systemtic Name: methyl 2-[[4-chloranyl-6-(4-phenylbutan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanoate Openeye Name: methyl 2-[[4-chloro-6-[(1-methyl-3-phenyl-propyl)amino]-1,3,5-triazin-2-yl]amino]acetate CAS Name: 2-[[4-chloro-6-(4-phenylbutan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-6-(4-phenylbutan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetate Traditional Name: 2-[[4-chloro-6-[(1-methyl-3-phenyl-propyl)amino]-s-triazin-2-yl]amino]acetic acid methyl ester Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=NC(=NC(=N2)NCC(=O)OC)Cl

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=NC(=NC(=N2)NCC(=O)OC)Cl

InChI

InChI=1S/C16H20ClN5O2/c1-11(8-9-12-6-4-3-5-7-12)19-16-21-14(17)20-15(22-16)18-10-13(23)24-2/h3-7,11H,8-10H2,1-2H3,(H2,18,19,20,21,22)