(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)acetic 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 2-(3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H18N6O4/c21-19-23-16(24-20(25-19)22-13-6-2-1-3-7-13)11-30-18(28)10-26-14-8-4-5-9-15(14)29-12-17(26)27/h1-9H,10-12H2,(H3,21,22,23,24,25)