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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)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-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N7O3/c22-20-25-17(26-21(27-20)24-14-6-2-1-3-7-14)12-31-18(29)10-11-28-13-23-16-9-5-4-8-15(16)19(28)30/h1-9,13H,10-12H2,(H3,22,24,25,26,27)