ethyl 4-[4-azanyl-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-azanyl-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxo-butanoate CAS Name: 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate Traditional Name: 4-[4-amino-6-(3,4-dimethylanilino)-s-triazin-2-yl]-3-keto-butyric acid ethyl ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C)C)N

Isomeric SMILES

CCOC(=O)CC(=O)CC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C)C)N

InChI

InChI=1S/C17H21N5O3/c1-4-25-15(24)9-13(23)8-14-20-16(18)22-17(21-14)19-12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H3,18,19,20,21,22)