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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC3=NC(=O)N=C(N3)NCC4=CC=NC=C4)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1NC3=NC(=O)N=C(N3)NCC4=CC=NC=C4)SC=N2

InChI

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