2-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C18H21N6O+ MolecularWeight: 337.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O/c1-13(16-21-15-6-3-2-5-14(15)17(25)22-16)23-9-11-24(12-10-23)18-19-7-4-8-20-18/h2-8,13H,9-12H2,1H3,(H,21,22,25)/p+1/t13-/m1/s1