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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic 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-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5O3S/c1-12-7-9-15(28-12)14(25)8-10-17(26)27-11-16-22-18(20)24-19(23-16)21-13-5-3-2-4-6-13/h2-7,9H,8,10-11H2,1H3,(H3,20,21,22,23,24)