(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-phenylsulfanylethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)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-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S/c19-17-21-15(22-18(23-17)20-13-7-3-1-4-8-13)11-25-16(24)12-26-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,19,20,21,22,23)