[(1R)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl] 2-thiophen-3-ylethanoate

Systemtic Name: [(1R)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl] 2-thiophen-3-ylethanoate Openeye Name: [(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl] 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid [(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl] 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [(1R)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl] ester Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)OC(=O)CC3=CSC=C3

Isomeric SMILES

C[C@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)OC(=O)CC3=CSC=C3

InChI

InChI=1S/C17H17N5O2S/c1-11(24-14(23)9-12-7-8-25-10-12)15-20-16(18)22-17(21-15)19-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H3,18,19,20,21,22)/t11-/m1/s1