2-(1,3-benzothiazol-6-ylamino)-6-[3-imidazol-1-ylpropyl-(phenylmethyl)amino]-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-6-[3-imidazol-1-ylpropyl-(phenylmethyl)amino]-1H-1,3,5-triazin-4-one Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-6-[benzyl(3-imidazol-1-ylpropyl)amino]-1H-1,3,5-triazin-4-one CAS Name: 2-(1,3-benzothiazol-6-ylamino)-6-[3-(1-imidazolyl)propyl-(phenylmethyl)amino]-1H-1,3,5-triazin-4-one IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-6-[benzyl(3-imidazol-1-ylpropyl)amino]-1H-1,3,5-triazin-4-one Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-6-[benzyl(3-imidazol-1-ylpropyl)amino]-1H-s-triazin-4-one Formula: C23H22N8OS MolecularWeight: 458.53878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C3=NC(=O)N=C(N3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C3=NC(=O)N=C(N3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H22N8OS/c32-23-28-21(26-18-7-8-19-20(13-18)33-16-25-19)27-22(29-23)31(14-17-5-2-1-3-6-17)11-4-10-30-12-9-24-15-30/h1-3,5-9,12-13,15-16H,4,10-11,14H2,(H2,26,27,28,29,32)