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

Systemtic Name: 4-[4-azanyl-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]-3-oxidanylidene-butanoic acid Openeye Name: 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxo-butanoic acid CAS Name: 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoic acid IUPAC Name: 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoic acid Traditional Name: 4-[4-amino-6-(3,4-dimethylanilino)-s-triazin-2-yl]-3-keto-butyric acid Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CC(=O)CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CC(=O)CC(=O)O)C

InChI

InChI=1S/C15H17N5O3/c1-8-3-4-10(5-9(8)2)17-15-19-12(18-14(16)20-15)6-11(21)7-13(22)23/h3-5H,6-7H2,1-2H3,(H,22,23)(H3,16,17,18,19,20)