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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c1-9-10-6-4-5-7-11(10)24-13(9)14(22)23-8-12-18-15(17)20-16(19-12)21(2)3/h4-7H,8H2,1-3H3,(H2,17,18,19,20)