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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-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-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H17ClN6O3S MolecularWeight: 468.91608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN6O3S/c22-17-13-8-4-5-9-14(13)32-18(17)19(30)24-10-16(29)31-11-15-26-20(23)28-21(27-15)25-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,24,30)(H3,23,25,26,27,28)