(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic 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 (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C17H19N5O2/c18-16-20-14(11-24-15(23)12-7-3-1-4-8-12)21-17(22-16)19-13-9-5-2-6-10-13/h1-3,5-6,9-10,12H,4,7-8,11H2,(H3,18,19,20,21,22)/t12-/m1/s1