[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H10ClN5O2S MolecularWeight: 335.7688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=NC(=NC(=N3)N)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=NC(=NC(=N3)N)N)Cl

InChI

InChI=1S/C13H10ClN5O2S/c14-9-6-3-1-2-4-7(6)22-10(9)11(20)21-5-8-17-12(15)19-13(16)18-8/h1-4H,5H2,(H4,15,16,17,18,19)