(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N6O2/c22-20-25-18(26-21(27-20)24-15-6-2-1-3-7-15)13-29-19(28)11-10-14-12-23-17-9-5-4-8-16(14)17/h1-9,12,23H,10-11,13H2,(H3,22,24,25,26,27)