ethyl 2-[2-[[4-(dimethylamino)-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]sulfanyl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[[4-(dimethylamino)-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[4-(dimethylamino)-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[4-(benzylamino)-6-(dimethylamino)-s-triazin-2-yl]thio]acetyl]amino]acetic acid ethyl ester Formula: C18H24N6O3S MolecularWeight: 404.48656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC(=NC(=N1)N(C)C)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC(=NC(=N1)N(C)C)NCC2=CC=CC=C2

InChI

InChI=1S/C18H24N6O3S/c1-4-27-15(26)11-19-14(25)12-28-18-22-16(21-17(23-18)24(2)3)20-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,19,25)(H,20,21,22,23)