2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-ium-1-yl]-N-benzylacetamide Traditional Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-benzyl-acetamide Formula: C17H22ClN6O+ MolecularWeight: 361.84918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C17H21ClN6O/c18-14-10-15(22-17(19)21-14)24-8-6-23(7-9-24)12-16(25)20-11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,20,25)(H2,19,21,22)/p+1