(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-oxo-3-propyl-benzimidazol-1-yl)acetate CAS Name: 2-(2-oxo-3-propyl-1-benzimidazolyl)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-(2-oxo-3-propylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-keto-3-propyl-benzimidazol-1-yl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H23N7O3/c1-2-12-28-16-10-6-7-11-17(16)29(22(28)31)13-19(30)32-14-18-25-20(23)27-21(26-18)24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H3,23,24,25,26,27)