2-(1,3-benzothiazol-6-ylamino)-6-[2-piperazin-1-ylethyl(quinolin-5-yl)amino]-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-6-[2-piperazin-1-ylethyl(quinolin-5-yl)amino]-1H-1,3,5-triazin-4-one Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-6-[2-piperazin-1-ylethyl(5-quinolyl)amino]-1H-1,3,5-triazin-4-one CAS Name: 2-(1,3-benzothiazol-6-ylamino)-6-[2-(1-piperazinyl)ethyl-(5-quinolinyl)amino]-1H-1,3,5-triazin-4-one IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-6-[2-piperazin-1-ylethyl(quinolin-5-yl)amino]-1H-1,3,5-triazin-4-one Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-6-[2-piperazinoethyl(5-quinolyl)amino]-1H-s-triazin-4-one Formula: C25H25N9OS MolecularWeight: 499.5907

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN(C2=CC=CC3=C2C=CC=N3)C4=NC(=O)N=C(N4)NC5=CC6=C(C=C5)N=CS6

Isomeric SMILES

C1CN(CCN1)CCN(C2=CC=CC3=C2C=CC=N3)C4=NC(=O)N=C(N4)NC5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C25H25N9OS/c35-25-31-23(29-17-6-7-20-22(15-17)36-16-28-20)30-24(32-25)34(14-13-33-11-9-26-10-12-33)21-5-1-4-19-18(21)3-2-8-27-19/h1-8,15-16,26H,9-14H2,(H2,29,30,31,32,35)