5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C24H29N6O3+ MolecularWeight: 449.52546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC[NH+]4CCOCC4)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC[NH+]4CCOCC4)C5CC5

InChI

InChI=1S/C24H28N6O3/c1-32-19-4-2-3-18(15-19)21-7-8-26-24(28-21)30-22(17-5-6-17)20(16-27-30)23(31)25-9-10-29-11-13-33-14-12-29/h2-4,7-8,15-17H,5-6,9-14H2,1H3,(H,25,31)/p+1