6-chloranyl-N2-[(2R)-4-phenylbutan-2-yl]-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-chloranyl-N2-[(2R)-4-phenylbutan-2-yl]-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine Openeye Name: N4-allyl-6-chloro-N2-[(1R)-1-methyl-3-phenyl-propyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-chloro-N2-[(2R)-4-phenylbutan-2-yl]-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-chloro-2-N-[(2R)-4-phenylbutan-2-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine Traditional Name: allyl-[4-chloro-6-[[(1R)-1-methyl-3-phenyl-propyl]amino]-s-triazin-2-yl]amine Formula: C16H20ClN5 MolecularWeight: 317.8165

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=NC(=NC(=N2)NCC=C)Cl

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC2=NC(=NC(=N2)NCC=C)Cl

InChI

InChI=1S/C16H20ClN5/c1-3-11-18-15-20-14(17)21-16(22-15)19-12(2)9-10-13-7-5-4-6-8-13/h3-8,12H,1,9-11H2,2H3,(H2,18,19,20,21,22)/t12-/m1/s1