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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-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-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H13N5O2S/c1-7-8-4-2-3-5-9(8)22-11(7)12(20)21-6-10-17-13(15)19-14(16)18-10/h2-5H,6H2,1H3,(H4,15,16,17,18,19)