(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic 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 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C19H19N5O2S/c20-18-22-16(23-19(24-18)21-13-7-2-1-3-8-13)11-26-17(25)15-10-12-6-4-5-9-14(12)27-15/h1-3,7-8,10H,4-6,9,11H2,(H3,20,21,22,23,24)