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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic 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 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C23H25N5O4/c1-2-14-31-18-10-8-16(9-11-18)19(29)12-13-21(30)32-15-20-26-22(24)28-23(27-20)25-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H3,24,25,26,27,28)