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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 1-benzothiophene-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl benzothiophene-2-carboxylate CAS Name: 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 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H11N5O2S MolecularWeight: 301.32374

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2S/c14-12-16-10(17-13(15)18-12)6-20-11(19)9-5-7-3-1-2-4-8(7)21-9/h1-5H,6H2,(H4,14,15,16,17,18)