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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic 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-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H19N5O2S/c1-3-12-9-14(26-11(12)2)16(24)25-10-15-21-17(19)23-18(22-15)20-13-7-5-4-6-8-13/h4-9H,3,10H2,1-2H3,(H3,19,20,21,22,23)