(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]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-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N

InChI

InChI=1S/C18H24N6O4/c1-18(2,3)28-17(26)20-10-9-14(25)27-11-13-22-15(19)24-16(23-13)21-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,20,26)(H3,19,21,22,23,24)