(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic 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 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C21H23N5O4/c1-13(2)30-16-10-9-14(11-17(16)28-3)19(27)29-12-18-24-20(22)26-21(25-18)23-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H3,22,23,24,25,26)