(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSCC3=CC=CS3

InChI

InChI=1S/C17H17N5O2S2/c18-16-20-14(21-17(22-16)19-12-5-2-1-3-6-12)9-24-15(23)11-25-10-13-7-4-8-26-13/h1-8H,9-11H2,(H3,18,19,20,21,22)