(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic 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-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N6O2S/c21-19-24-16(25-20(26-19)22-13-6-2-1-3-7-13)12-28-18(27)11-10-17-23-14-8-4-5-9-15(14)29-17/h1-9H,10-12H2,(H3,21,22,24,25,26)