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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]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-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C24H30N6O3/c25-22-28-19(29-23(30-22)27-18-4-2-1-3-5-18)14-33-20(31)6-7-26-21(32)24-11-15-8-16(12-24)10-17(9-15)13-24/h1-5,15-17H,6-14H2,(H,26,32)(H3,25,27,28,29,30)