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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-propoxybenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N5O3/c1-2-12-27-16-10-8-14(9-11-16)18(26)28-13-17-23-19(21)25-20(24-17)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H3,21,22,23,24,25)