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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-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-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H17ClN6O4 MolecularWeight: 440.83978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C20H17ClN6O4/c21-12-6-7-14-15(10-12)31-20(29)27(14)9-8-17(28)30-11-16-24-18(22)26-19(25-16)23-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H3,22,23,24,25,26)