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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-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-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H22N6O3/c1-13-8-9-15(10-14(13)2)19(29)23-11-18(28)30-12-17-25-20(22)27-21(26-17)24-16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3,(H,23,29)(H3,22,24,25,26,27)