(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic 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 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)NC

InChI

InChI=1S/C16H17N7O2S/c1-9-12(13(18-2)26-23-9)14(24)25-8-11-20-15(17)22-16(21-11)19-10-6-4-3-5-7-10/h3-7,18H,8H2,1-2H3,(H3,17,19,20,21,22)