(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic 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 (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H22N6O4/c1-12(2)16(25-17(27)14-9-6-10-29-14)18(28)30-11-15-23-19(21)26-20(24-15)22-13-7-4-3-5-8-13/h3-10,12,16H,11H2,1-2H3,(H,25,27)(H3,21,22,23,24,26)/t16-/m0/s1