[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C19H23N7O3 MolecularWeight: 397.43102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C19H23N7O3/c1-11(27)22-15(8-12-9-21-14-7-5-4-6-13(12)14)17(28)29-10-16-23-18(20)25-19(24-16)26(2)3/h4-7,9,15,21H,8,10H2,1-3H3,(H,22,27)(H2,20,23,24,25)