(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 4-(2-oxolanylmethoxy)benzoic 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-(oxolan-2-ylmethoxy)benzoate Traditional Name: 4-(tetrahydrofurfuryloxy)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CC(OC1)COC2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H23N5O4/c23-21-25-19(26-22(27-21)24-16-5-2-1-3-6-16)14-31-20(28)15-8-10-17(11-9-15)30-13-18-7-4-12-29-18/h1-3,5-6,8-11,18H,4,7,12-14H2,(H3,23,24,25,26,27)