(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-pyrrol-1-ylbenzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-pyrrol-1-ylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)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 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H18N6O2/c22-20-24-18(25-21(26-20)23-16-8-2-1-3-9-16)14-29-19(28)15-7-6-10-17(13-15)27-11-4-5-12-27/h1-13H,14H2,(H3,22,23,24,25,26)