(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methanethiol

Systemtic Name: (4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methanethiol Openeye Name: [4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]methanethiol CAS Name: [4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]methanethiol IUPAC Name: (4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methanethiol Traditional Name: (4-amino-6-piperidino-s-triazin-2-yl)-[3-(3-pyridyl)-1H-1,2,4-triazol-5-yl]methanethiol Formula: C16H19N9S MolecularWeight: 369.44736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)C(C3=NC(=NN3)C4=CN=CC=C4)S)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)C(C3=NC(=NN3)C4=CN=CC=C4)S)N

InChI

InChI=1S/C16H19N9S/c17-15-20-13(21-16(22-15)25-7-2-1-3-8-25)11(26)14-19-12(23-24-14)10-5-4-6-18-9-10/h4-6,9,11,26H,1-3,7-8H2,(H,19,23,24)(H2,17,20,21,22)