(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]acetic 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 2-[(3,5-dimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C21H22N6O5/c1-30-15-8-13(9-16(10-15)31-2)19(29)23-11-18(28)32-12-17-25-20(22)27-21(26-17)24-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,23,29)(H3,22,24,25,26,27)