2-(1,3-benzothiazol-6-ylamino)-6-[2-(phenylmethyl)pyrrolidin-1-yl]-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-6-[2-(phenylmethyl)pyrrolidin-1-yl]-1H-1,3,5-triazin-4-one Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-benzylpyrrolidin-1-yl)-1H-1,3,5-triazin-4-one CAS Name: 2-(1,3-benzothiazol-6-ylamino)-6-[2-(phenylmethyl)-1-pyrrolidinyl]-1H-1,3,5-triazin-4-one IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-benzylpyrrolidin-1-yl)-1H-1,3,5-triazin-4-one Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-benzylpyrrolidino)-1H-s-triazin-4-one Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=O)N=C(N2)NC3=CC4=C(C=C3)N=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C2=NC(=O)N=C(N2)NC3=CC4=C(C=C3)N=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C21H20N6OS/c28-21-25-19(23-15-8-9-17-18(12-15)29-13-22-17)24-20(26-21)27-10-4-7-16(27)11-14-5-2-1-3-6-14/h1-3,5-6,8-9,12-13,16H,4,7,10-11H2,(H2,23,24,25,26,28)