6-(3-phenylazanyl-1,2,4-triazol-1-yl)-N-piperidin-3-yl-pyrimidin-4-amine

Systemtic Name: 6-(3-phenylazanyl-1,2,4-triazol-1-yl)-N-piperidin-3-yl-pyrimidin-4-amine Openeye Name: 6-(3-anilino-1,2,4-triazol-1-yl)-N-(3-piperidyl)pyrimidin-4-amine CAS Name: 6-(3-anilino-1,2,4-triazol-1-yl)-N-(3-piperidinyl)-4-pyrimidinamine IUPAC Name: 6-(3-anilino-1,2,4-triazol-1-yl)-N-piperidin-3-ylpyrimidin-4-amine Traditional Name: [6-(3-anilino-1,2,4-triazol-1-yl)pyrimidin-4-yl]-(3-piperidyl)amine Formula: C17H20N8 MolecularWeight: 336.3943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)NC2=NC=NC(=C2)N3C=NC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CNC1)NC2=NC=NC(=C2)N3C=NC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C17H20N8/c1-2-5-13(6-3-1)23-17-21-12-25(24-17)16-9-15(19-11-20-16)22-14-7-4-8-18-10-14/h1-3,5-6,9,11-12,14,18H,4,7-8,10H2,(H,23,24)(H,19,20,22)