2-(1,3-benzothiazol-6-ylamino)-6-(pyridin-2-ylmethylamino)-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(1,3-benzothiazol-6-ylamino)-6-(pyridin-2-ylmethylamino)-1H-1,3,5-triazin-4-one Openeye Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-pyridylmethylamino)-1H-1,3,5-triazin-4-one CAS Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-pyridinylmethylamino)-1H-1,3,5-triazin-4-one IUPAC Name: 2-(1,3-benzothiazol-6-ylamino)-6-(pyridin-2-ylmethylamino)-1H-1,3,5-triazin-4-one Traditional Name: 2-(1,3-benzothiazol-6-ylamino)-6-(2-pyridylmethylamino)-1H-s-triazin-4-one Formula: C16H13N7OS MolecularWeight: 351.38572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7OS/c24-16-22-14(18-8-11-3-1-2-6-17-11)21-15(23-16)20-10-4-5-12-13(7-10)25-9-19-12/h1-7,9H,8H2,(H3,18,20,21,22,23,24)