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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-thiophen-2-ylbutanoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCC(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

C1=CSC(=C1)CCCC(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C12H15N5O2S/c13-11-15-9(16-12(14)17-11)7-19-10(18)5-1-3-8-4-2-6-20-8/h2,4,6H,1,3,5,7H2,(H4,13,14,15,16,17)