2-(1,3-benzothiazol-6-ylamino)-6-[(2-chloranyl-6-methyl-phenyl)methylamino]-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-6-[(2-chloranyl-6-methyl-phenyl)methylamino]-1H-1,3,5-triazin-4-one Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-6-[(2-chloro-6-methyl-phenyl)methylamino]-1H-1,3,5-triazin-4-one CAS Name: 2-(1,3-benzothiazol-6-ylamino)-6-[(2-chloro-6-methylphenyl)methylamino]-1H-1,3,5-triazin-4-one IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-6-[(2-chloro-6-methylphenyl)methylamino]-1H-1,3,5-triazin-4-one Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-6-[(2-chloro-6-methyl-benzyl)amino]-1H-s-triazin-4-one Formula: C18H15ClN6OS MolecularWeight: 398.8693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)CNC2=NC(=O)N=C(N2)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CNC2=NC(=O)N=C(N2)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H15ClN6OS/c1-10-3-2-4-13(19)12(10)8-20-16-23-17(25-18(26)24-16)22-11-5-6-14-15(7-11)27-9-21-14/h2-7,9H,8H2,1H3,(H3,20,22,23,24,25,26)