[(1R)-1-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl] 4-butoxybenzoate

Systemtic Name: [(1R)-1-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl] 4-butoxybenzoate Openeye Name: [(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl] ester IUPAC Name: [(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-1-[4-amino-6-(dimethylamino)-s-triazin-2-yl]ethyl] ester Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C2=NC(=NC(=N2)N(C)C)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C2=NC(=NC(=N2)N(C)C)N

InChI

InChI=1S/C18H25N5O3/c1-5-6-11-25-14-9-7-13(8-10-14)16(24)26-12(2)15-20-17(19)22-18(21-15)23(3)4/h7-10,12H,5-6,11H2,1-4H3,(H2,19,20,21,22)/t12-/m1/s1