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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [4-amino-6-(dimethylamino)-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-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-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-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-4-11-27-14-7-5-13(6-8-14)15(25)9-10-17(26)28-12-16-21-18(20)23-19(22-16)24(2)3/h5-8H,4,9-12H2,1-3H3,(H2,20,21,22,23)